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1584715-10-5 | 1-Piperidinecarboxylic acid, 4-(3-chlorophenyl)-, 1,1-dimethylethyl ester
CAS No: 1584715-10-5 Catalog No: AG001Q7Z MDL No:
Product Description
Catalog Number:
AG001Q7Z
Chemical Name:
1-Piperidinecarboxylic acid, 4-(3-chlorophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1584715-10-5
Molecular Formula:
C16H22ClNO2
Molecular Weight:
295.8044
IUPAC Name:
tert-butyl 4-(3-chlorophenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H22ClNO2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10H2,1-3H3
InChI Key:
FZWLAWQHXHOOPI-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.134g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.807g/mol
Monoisotopic Mass:
295.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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