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1217722-00-3 | 1-Piperidinecarboxylic acid, 3-[(4-pyridinylmethyl)amino]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1217722-00-3 Catalog No: AG0015WU MDL No:
Product Description
Catalog Number:
AG0015WU
Chemical Name:
1-Piperidinecarboxylic acid, 3-[(4-pyridinylmethyl)amino]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1217722-00-3
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
IUPAC Name:
tert-butyl (3S)-3-(pyridin-4-ylmethylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-4-5-14(12-19)18-11-13-6-8-17-9-7-13/h6-9,14,18H,4-5,10-12H2,1-3H3/t14-/m0/s1
InChI Key:
LBUYCRLVNHYWHB-AWEZNQCLSA-N
SMILES:
O=C(N1CCC[C@@H](C1)NCc1ccncc1)OC(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.395g/mol
Monoisotopic Mass:
291.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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