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1260763-63-0 | Carbamic acid, N-[1-(2-cyanophenyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1260763-63-0 Catalog No: AG000R63 MDL No:
Product Description
Catalog Number:
AG000R63
Chemical Name:
Carbamic acid, N-[1-(2-cyanophenyl)-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1260763-63-0
Molecular Formula:
C17H23N3O2
Molecular Weight:
301.3834
IUPAC Name:
tert-butyl N-[1-(2-cyanophenyl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)19-14-8-6-10-20(12-14)15-9-5-4-7-13(15)11-18/h4-5,7,9,14H,6,8,10,12H2,1-3H3,(H,19,21)
InChI Key:
YGEVJSKFWNCGJU-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N1CCCC(C1)NC(=O)OC(C)(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.39g/mol
Monoisotopic Mass:
301.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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