AG003BTI

105812-81-5 | (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

AG003BTI

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CAS Number	105812-81-5
Catalog Number	AG003BTI(AGN-PC-0NW7RB)
Chemical Name	(3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
IUPAC Name	[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
InChI	InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1
InChI Key	CXRHUYYZISIIMT-AAEUAGOBSA-N
MDL Number	MFCD06658161
Molecular Formula	C13H18FNO
Molecular Weight	223.2865
SMILES	CN1C[C@@H](CO)[C@H](C2=CC=C(F)C=C2)CC1
UNII	IDR7471BR7
Synonyms	105812-81-5, (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol, [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol, UNII-IDR7471BR7, 109887-53-8, IDR7471BR7, MFCD06658161, ((3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol, (3S)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, Trans-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine, (3S,4R)-[4-(4-Fluoro-phenyl)-1-methyl-piperidin-3-yl]-methanol, 3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3S,4R)-, Paroxol, (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, 318279-38-8, C13H18FNO, [(3S,4R)-4-(4-fluorophenyl)-1-methyl-3-piperidyl]methanol, AK-32761, PubChem5786, AC1MC0ML, EC 406-030-4, EC 415-550-0, KSC497A8L, SCHEMBL1944023, Jsp000541, (+/-)-TRANS-4-(FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE, Paroxol 1.0 mg/ml in Methanol, CTK3J7085, CXRHUYYZISIIMT-AAEUAGOBSA-N, AM683, ACN-S003531, ZINC2529787, (+/-)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine, (-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine, 4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, (-)-trans-, ANW-52418, CF-258, CF0013, 4-(4-Fluorophenyl)-3-(hydroxymethyl)-1-methylpiperidine, (+/-)-trans-, AKOS015853527, AKOS015895971, AC-8186, AN-8248, CS-W003303, FS-2563, FS-3020, RP27469, RTC-064069, AC-11787, AC-16240, AJ-38431, AN-15801, BR-32761, CC-00590, I056, PC300797, SC-46065, ST086166, AB0013455, AB1004561, AX8014895, DB-017981, ST2407997, TC-064069, F0878, FT-0642608, FT-0655780, KS-00000961, A-2106, 812F815, C-12556, I06-1299, J-501283, J-513513, ((3S)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol, 1-Methyl-4alpha-(4-fluorophenyl)piperidine-3beta-methanol, UNII-QRA30YT0AV component CXRHUYYZISIIMT-AAEUAGOBSA-N, (-)TRANS-4R-(4-FLUOROPHENYL)-3S-HYDROXYMETHYL-1-ME, (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1methylpiperidine, (+/-) trans-4-(4'-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine, (+/-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine, (+/-)-trans-4-(4'fluorophenyl)-3-hydroxymethyl-N-methyl piperidine, (-)-trans-4-(4-fluorophenyl)-1-methyl-3-hydroxymethylpiperidine, (4R,3S)-4-(4-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine, [(3S,4R)-4-(4-fluorophenyl)-1-methyl-3-piperidyl]methan-1-ol, (+/-)-trans-[4-(4-fluorophenyl)-1-methyl-piperidin-3-yl]-methanol, (-)-trans-(4R)-4-Fluorophenyl)-(3S)-hydroxymethyl-1-methylpiperidine, (3S,4R)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, AldrichCPR, (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine; (3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol, JLD, fluoxymesterone, UNII-QRA30YT0AV, QRA30YT0AV, CB11301, CB12077, CID2734218, A2164, [4-(4-fluorophenyl)-1-methyl-3-piperidyl]methanol, trans-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, 4-(4-Fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine, [4-(4-Fluoro-phenyl)-1-methyl-piperidin-3-yl]-methanol, ((3R,4S)-rel-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl)methanol, (-)Trans-4-(4-Fluorophenyl)-3-hydroxy methyl -N-methyl piperidine, 76-43-7,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	223.137g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.291g/mol
Monoisotopic Mass	223.137g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

Lot Number