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115767-21-0 | Piperidine, 1-(2-chlorobenzoyl)-3,5-dimethyl-, cis- (9CI)
CAS No: 115767-21-0 Catalog No: AG000GUX MDL No:
Product Description
Catalog Number:
AG000GUX
Chemical Name:
Piperidine, 1-(2-chlorobenzoyl)-3,5-dimethyl-, cis- (9CI)
CAS Number:
115767-21-0
Molecular Formula:
C14H18ClNO
Molecular Weight:
251.7518
IUPAC Name:
(2-chlorophenyl)-[(3S,5R)-3,5-dimethylpiperidin-1-yl]methanone
InChI:
InChI=1S/C14H18ClNO/c1-10-7-11(2)9-16(8-10)14(17)12-5-3-4-6-13(12)15/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
InChI Key:
RXWJONAUODBZSY-PHIMTYICSA-N
SMILES:
C[C@@H]1C[C@H](C)CN(C1)C(=O)c1ccccc1Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
251.108g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.754g/mol
Monoisotopic Mass:
251.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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