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1146080-69-4 | Carbamic acid, N-[1-[2-(4-chlorophenyl)-2-oxoethyl]-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1146080-69-4 Catalog No: AG000ESW MDL No:
Product Description
Catalog Number:
AG000ESW
Chemical Name:
Carbamic acid, N-[1-[2-(4-chlorophenyl)-2-oxoethyl]-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1146080-69-4
Molecular Formula:
C18H25ClN2O3
Molecular Weight:
352.8557
IUPAC Name:
tert-butyl N-[1-[2-(4-chlorophenyl)-2-oxoethyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C18H25ClN2O3/c1-18(2,3)24-17(23)20-15-8-10-21(11-9-15)12-16(22)13-4-6-14(19)7-5-13/h4-7,15H,8-12H2,1-3H3,(H,20,23)
InChI Key:
YWLLLDZHJUFYLT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)CN1CCC(CC1)NC(=O)OC(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.155g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.859g/mol
Monoisotopic Mass:
352.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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