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136982-42-8 | 3-Piperidinamine, N-[(2,5-dimethoxyphenyl)methyl]-2-phenyl-, cis- (9CI)
CAS No: 136982-42-8 Catalog No: AG0012N9 MDL No:
Product Description
Catalog Number:
AG0012N9
Chemical Name:
3-Piperidinamine, N-[(2,5-dimethoxyphenyl)methyl]-2-phenyl-, cis- (9CI)
CAS Number:
136982-42-8
Molecular Formula:
C20H26N2O2
Molecular Weight:
326.4326
IUPAC Name:
(2S,3S)-N-[(2,5-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
InChI:
InChI=1S/C20H26N2O2/c1-23-17-10-11-19(24-2)16(13-17)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1
InChI Key:
JWFRVJYQGQVKBH-ICSRJNTNSA-N
SMILES:
COc1ccc(c(c1)CN[C@H]1CCCN[C@H]1c1ccccc1)OC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
326.199g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.44g/mol
Monoisotopic Mass:
326.199g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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