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1171197-20-8 | 1-Piperidinecarboxylic acid, 3-(4-aminophenyl)-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1171197-20-8 Catalog No: AG000DQY MDL No:MFCD27921195
Product Description
Catalog Number:
AG000DQY
Chemical Name:
1-Piperidinecarboxylic acid, 3-(4-aminophenyl)-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1171197-20-8
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD27921195
IUPAC Name:
tert-butyl (3S)-3-(4-aminophenyl)piperidine-1-carboxylate
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-4-5-13(11-18)12-6-8-14(17)9-7-12/h6-9,13H,4-5,10-11,17H2,1-3H3/t13-/m1/s1
InChI Key:
SWUANUQBXJNXGP-CYBMUJFWSA-N
SMILES:
Nc1ccc(cc1)[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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