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857531-03-4 | Piperidine, 4-(4-methoxyphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS No: 857531-03-4 Catalog No: AG004Y9X MDL No:
Product Description
Catalog Number:
AG004Y9X
Chemical Name:
Piperidine, 4-(4-methoxyphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS Number:
857531-03-4
Molecular Formula:
C21H23N3O
Molecular Weight:
333.4268
IUPAC Name:
4-(4-methoxyphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
InChI:
InChI=1S/C21H23N3O/c1-25-20-8-6-19(7-9-20)21(10-12-22-13-11-21)18-4-2-16(3-5-18)17-14-23-24-15-17/h2-9,14-15,22H,10-13H2,1H3,(H,23,24)
InChI Key:
PYVKMDJDKCKVJO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)c1c[nH]nc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.435g/mol
Monoisotopic Mass:
333.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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