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857531-04-5 | Piperidine, 4-(4-chlorophenyl)-1-methyl-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS No: 857531-04-5 Catalog No: AG004Y9W MDL No:
Product Description
Catalog Number:
AG004Y9W
Chemical Name:
Piperidine, 4-(4-chlorophenyl)-1-methyl-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS Number:
857531-04-5
Molecular Formula:
C21H22ClN3
Molecular Weight:
351.8725
IUPAC Name:
4-(4-chlorophenyl)-1-methyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
InChI:
InChI=1S/C21H22ClN3/c1-25-12-10-21(11-13-25,19-6-8-20(22)9-7-19)18-4-2-16(3-5-18)17-14-23-24-15-17/h2-9,14-15H,10-13H2,1H3,(H,23,24)
InChI Key:
JBBMHGJGPVSWOO-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)(c1ccc(cc1)c1c[nH]nc1)c1ccc(cc1)Cl
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.15g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.878g/mol
Monoisotopic Mass:
351.15g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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