AG001LMC

149353-75-3 | 1-Piperidinecarboxylic acid, 4-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester

AG001LMC

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CAS Number	149353-75-3
Catalog Number	AG001LMC(AGN-PC-03S3JR)
Chemical Name	1-Piperidinecarboxylic acid, 4-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester
IUPAC Name	4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
InChI	InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-10-8-13(9-11-18)12-4-6-14(7-5-12)15(19)20/h4-7,13H,8-11H2,1-3H3,(H,19,20)
InChI Key	YCNVQGGUCDVTIZ-UHFFFAOYSA-N
MDL Number	MFCD02178897
Molecular Formula	C17H23NO4
Molecular Weight	305.3688
SMILES	CC(C)(C)OC(=O)N1CCC(CC1)C1=CC=C(C=C1)C(O)=O
Synonyms	149353-75-3, 4-(1-(tert-butoxycarbonyl)piperidin-4-yl)benzoic acid, n-boc-4-(4-carboxyphenyl) piperidine, 1-boc-4-(4-carboxy-phenyl)-piperidine, 1-N-Boc-4-(4'-Carboxyphenyl)piperidine, 4-(1-Boc-4-piperidyl)benzoic Acid, 4-(4-carboxy-phenyl)-piperidine-1-carboxylic acid tert-butyl ester, n-boc-4-(4-carboxyphenyl)piperidine, AK-83537, 1-Piperidinecarboxylicacid, 4-(4-carboxyphenyl)-, 1-(1,1-dimethylethyl) ester, 4-[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]BENZOIC ACID, n-boc-piperidin-4-ylbenzoic acid, PubChem13498, ACMC-1C4ZU, SCHEMBL226854, CTK4C6160, DTXSID30626156, YCNVQGGUCDVTIZ-UHFFFAOYSA-N, ACT08895, ZINC2577346, 7443AA, ANW-67697, MFCD02178897, RW1124, AKOS015912359, AB10956, CS-W021981, QC-7315, 1-N-Boc-4-(4-Carboxyphenyl)piperidine, 1-N-Boc-4-(4 -Carboxyphenyl)piperidine, AC-29776, AJ-42604, DS-17226, SC-13864, SY047741, AB0005226, AX8027584, RT-006373, 4CH-021841, FT-0649463, ST24042787, MFCD02178897 (95%), Z-4845, 4-(1-t-butoxycarbonylpiperidin-4-yl)benzoic acid, A808883, 4-(1-tert-butoxycarbonylpiperidin-4-yl)benzoic acid, 4-[1-(tert-butoxycarbonyl)-4-piperidyl]benzoic acid, I14-36551, 1-tert. Butyloxycarbonyl-4-(4-carboxyphenyl)-piperidine, 1-tert.butyloxycarbonyl-4-(4-carboxyphenyl)-piperidine, tert-butyl 4-(4-carboxyphenyl)-piperidine-1-carboxylate, tert.butyl 4-(4-carboxyphenyl)-piperidine-1-carboxylate, tert. butyl 4-(4-carboxyphenyl)-piperidine-1-carboxylate, 4-(4-carboxyphenyl)piperidine-1-carboxylic acid tert-butyl ester, 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid, 1-Piperidinecarboxylicacid,4-(4-carboxyphenyl)-,1-(1,1-dimethylethyl)ester, 4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]benzoic acid, 1-PIPERIDINECARBOXYLIC ACID, 4-(4-CARBOXYPHENYL)-, 1-(1,1-DIMETHYLETHYL) ESTER, N-BOC-4- PIPERIDINE, C17H23NO4, ACN-044757, 4-(1-(tert-Butoxycarbonyl)piperidin-4-yl)benzoicacid,

Complexity	399
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	305.163g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	305.374g/mol
Monoisotopic Mass	305.163g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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