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178914-47-1

178914-47-1 | Carbamic acid, N-(4-phenyl-4-piperidinyl)-, 1,1-dimethylethyl ester

CAS No: 178914-47-1 Catalog No: AG0026I1 MDL No:

Product Description

Catalog Number:
AG0026I1
Chemical Name:
Carbamic acid, N-(4-phenyl-4-piperidinyl)-, 1,1-dimethylethyl ester
CAS Number:
178914-47-1
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
IUPAC Name:
tert-butyl N-(4-phenylpiperidin-4-yl)carbamate
InChI:
InChI=1S/C16H24N2O2/c1-15(2,3)20-14(19)18-16(9-11-17-12-10-16)13-7-5-4-6-8-13/h4-8,17H,9-12H2,1-3H3,(H,18,19)
InChI Key:
ZPGFRFRXRVLSMF-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCNCC1)c1ccccc1)OC(C)(C)C

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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