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139004-91-4 | 2-Piperidinecarboxamide, 1-(phenylmethyl)-, (S)- (9CI)
CAS No: 139004-91-4 Catalog No: AG001A05 MDL No:
Product Description
Catalog Number:
AG001A05
Chemical Name:
2-Piperidinecarboxamide, 1-(phenylmethyl)-, (S)- (9CI)
CAS Number:
139004-91-4
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
(2S)-1-benzylpiperidine-2-carboxamide
InChI:
InChI=1S/C13H18N2O/c14-13(16)12-8-4-5-9-15(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H2,14,16)/t12-/m0/s1
InChI Key:
GGCNUGIIDOOCMF-LBPRGKRZSA-N
SMILES:
NC(=O)[C@@H]1CCCCN1Cc1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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