AG004OVY

857531-00-1 | Piperidine, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-

AG004OVY

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CAS Number	857531-00-1
Catalog Number	AG004OVY(AGN-PC-0NH4NG)
Chemical Name	Piperidine, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-
IUPAC Name	4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
InChI	InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
InChI Key	LZMOSYUFVYJEPY-UHFFFAOYSA-N
MDL Number	MFCD18384971
Molecular Formula	C20H20ClN3
Molecular Weight	337.8459
SMILES	ClC1=CC=C(C2(C3=CC=C(C4=CNN=C4)C=C3)CCNCC2)C=C1
Synonyms	AT 7867, AT-7867, AT7867, AT7867, 857531-00-1, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine, AT-7867, AT 7867, 4-(4-(1H-pyrazol-4-yl)phenyl)-4-(4-chlorophenyl)piperidine, CHEBI:82708, Piperidine, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-, C20H20ClN3, 4-(4-chlorophenyl)-4-(4-(1h-pyrazol-4-yl)phenyl)piperidine, GVP, pyrazole-based inhibitor 9, MLS006011001, CHEMBL428462, SCHEMBL1977655, BDBM16219, CTK3C8308, DTXSID00457772, LZMOSYUFVYJEPY-UHFFFAOYSA-N, BCPP000380, HMS3655A05, BCP02406, EX-A1799, KS-00001CW2, ABP000413, AT-867, s1558, ZINC14961002, AKOS025117574, AN-1296, BCP9000336, CS-0218, DB07859, EX-8670, RL05309, SB16559, AT7867/AT-7867/, NCGC00346549-01, NCGC00346549-06, AC-30293, BC660062, HY-12059, QC-11437, SMR004702799, FT-0746989, SW219380-1, X7428, A24956, W-5745, J-513483, BRD-K12040459-001-01-1, 4-(4-Chloro-phenyl)-4-[4(1H-pyrazol-4-yl)-phenyl]-piperidine, 4-(4-chloro-phenyl)-4-[4-(1H-pyrazol-4-yl)-phenyl]-piperidine, AT7867 dihydrochloride, cc-116, CID11175137, A3199, A5653, A10094, 1236699-92-5, 1431697-86-7,

Complexity	394
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	337.135g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	337.851g/mol
Monoisotopic Mass	337.135g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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