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83898-31-1 | Carbamic acid,[[4-phenyl-1-(phenylmethyl)-4-piperidinyl]methyl]-, ethyl ester (9CI)
CAS No: 83898-31-1 Catalog No: AG004RFS MDL No:
Product Description
Catalog Number:
AG004RFS
Chemical Name:
Carbamic acid,[[4-phenyl-1-(phenylmethyl)-4-piperidinyl]methyl]-, ethyl ester (9CI)
CAS Number:
83898-31-1
Molecular Formula:
C22H28N2O2
Molecular Weight:
352.4699
IUPAC Name:
ethyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
InChI:
InChI=1S/C22H28N2O2/c1-2-26-21(25)23-18-22(20-11-7-4-8-12-20)13-15-24(16-14-22)17-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,23,25)
InChI Key:
DDOMFXWZSMHVEA-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCC1(CCN(CC1)Cc1ccccc1)c1ccccc1
EC Number:
281-240-5
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.215g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.478g/mol
Monoisotopic Mass:
352.215g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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