AG004LNS

877399-73-0 | 1-(4-BOC-piperidyl)-4-iodopyrazole

AG004LNS

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CAS Number	877399-73-0
Catalog Number	AG004LNS(AGN-PC-0VGEWW)
Chemical Name	1-(4-BOC-piperidyl)-4-iodopyrazole
IUPAC Name	tert-butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate
InChI	InChI=1S/C13H20IN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3
InChI Key	IONGFFYQZADMPH-UHFFFAOYSA-N
MDL Number	MFCD12913927
Molecular Formula	C13H20IN3O2
Molecular Weight	377.2213
SMILES	IC1=CN(C2CCN(C(OC(C)(C)C)=O)CC2)N=C1
Synonyms	877399-73-0, 1-Boc-4-(4-Iodo-1H-pyrazol-1-yl)piperidine, tert-butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate, 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester, MFCD12913927, AK-37680, 1-(1-Boc-4-piperidinyl)-4-iodopyrazole, tert-butyl4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate, tert-butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate, 1-N-boc-4-(4-iodopyrazol-1-yl)piperidine, SCHEMBL2575742, DTXSID40670342, IONGFFYQZADMPH-UHFFFAOYSA-N, BCP09235, CS-M0267, KS-00000I3U, ZX-AV000215, ANW-54038, CB0063, ZINC38537892, 1-(4-Boc-piperidino)-4-iodopyrazole, AKOS015900595, ACN-043303, CB-3269, QC-1072, AC-24303, AJ-96263, AM807998, AN-26809, DS-12778, EN001462, AB0077882, AX8163840, DB-002182, TC-142783, 4CH-008948, FT-0656577, ST24027026, B-4734, 1-N-Boc-4-(4-iodo-1H-pyrazol-1-yl)piperidine, 399B730, I14-0854, S14-1555, 1-(1-tert-butoxycarbonyl-4-piperidinyl)-4-iodopyrazole, t-butyl 4-(4-iodo-1h-pyrazol-1-yl)piperidine-1-carboxylate, 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-,1,1-dimethylethyl ester, 1-(4-BOC-piperidyl)-4-iodopyrazole, 1-(4-BOC-piperazino)-4-iodopyrazole, A10456, 1448326-33-7,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	377.06g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	377.226g/mol
Monoisotopic Mass	377.06g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	47.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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