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83-82-9 | 1-Piperazinemethanol, 2-(4-chlorophenyl)-4-methyl-6-phenyl-
CAS No: 83-82-9 Catalog No: AG004S6D MDL No:
Product Description
Catalog Number:
AG004S6D
Chemical Name:
1-Piperazinemethanol, 2-(4-chlorophenyl)-4-methyl-6-phenyl-
CAS Number:
83-82-9
Molecular Formula:
C18H21ClN2O
Molecular Weight:
316.8251
IUPAC Name:
[2-(4-chlorophenyl)-4-methyl-6-phenylpiperazin-1-yl]methanol
InChI:
InChI=1S/C18H21ClN2O/c1-20-11-17(14-5-3-2-4-6-14)21(13-22)18(12-20)15-7-9-16(19)10-8-15/h2-10,17-18,22H,11-13H2,1H3
InChI Key:
IKLRKIFKPXABAZ-UHFFFAOYSA-N
SMILES:
OCN1C(CN(CC1c1ccccc1)C)c1ccc(cc1)Cl
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.829g/mol
Monoisotopic Mass:
316.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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