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136982-36-0 | 3-Piperidinamine, N-[(2-methoxyphenyl)methyl]-2-phenyl-, (2S,3S)-
CAS No: 136982-36-0 Catalog No: AG0012NA MDL No:
Product Description
Catalog Number:
AG0012NA
Chemical Name:
3-Piperidinamine, N-[(2-methoxyphenyl)methyl]-2-phenyl-, (2S,3S)-
CAS Number:
136982-36-0
Molecular Formula:
C19H24N2O
Molecular Weight:
296.4067
IUPAC Name:
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
InChI:
InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
InChI Key:
DTQNEFOKTXXQKV-HKUYNNGSSA-N
SMILES:
COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
UNII:
5KM4QA7RZC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
296.189g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.414g/mol
Monoisotopic Mass:
296.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
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