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857531-25-0 | Piperidine, 1-[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-
CAS No: 857531-25-0 Catalog No: AG004Y9S MDL No:
Product Description
Catalog Number:
AG004Y9S
Chemical Name:
Piperidine, 1-[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-
CAS Number:
857531-25-0
Molecular Formula:
C22H24ClN3
Molecular Weight:
365.8991
IUPAC Name:
1-[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]piperidine
InChI:
InChI=1S/C22H24ClN3/c23-21-10-8-19(9-11-21)22(16-26-12-2-1-3-13-26)18-6-4-17(5-7-18)20-14-24-25-15-20/h4-11,14-15,22H,1-3,12-13,16H2,(H,24,25)
InChI Key:
XGMBCVUAPHUSMA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(c1ccc(cc1)c1c[nH]nc1)CN1CCCCC1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.166g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.905g/mol
Monoisotopic Mass:
365.166g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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