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156336-92-4 | Piperidine, 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-(cyclohexylmethyl)-
CAS No: 156336-92-4 Catalog No: AG001OPB MDL No:
Product Description
Catalog Number:
AG001OPB
Chemical Name:
Piperidine, 4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-(cyclohexylmethyl)-
CAS Number:
156336-92-4
Molecular Formula:
C21H28ClN3
Molecular Weight:
357.9201
IUPAC Name:
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(cyclohexylmethyl)piperidine
InChI:
InChI=1S/C21H28ClN3/c22-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-25(13-11-18)15-16-4-2-1-3-5-16/h6-9,14,16,18H,1-5,10-13,15H2,(H,23,24)
InChI Key:
GTMVYXIUBGBXAW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1[nH]nc(c1)C1CCN(CC1)CC1CCCCC1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.197g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.926g/mol
Monoisotopic Mass:
357.197g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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