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1255533-88-0 | 1-Piperidinecarboxylic acid, 3-(2-pyridinylamino)-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1255533-88-0 Catalog No: AG000NUS MDL No:MFCD24370723
Product Description
Catalog Number:
AG000NUS
Chemical Name:
1-Piperidinecarboxylic acid, 3-(2-pyridinylamino)-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1255533-88-0
Molecular Formula:
C15H23N3O2
Molecular Weight:
277.3620
MDL Number:
MFCD24370723
IUPAC Name:
tert-butyl (3R)-3-(pyridin-2-ylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-10-6-7-12(11-18)17-13-8-4-5-9-16-13/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,16,17)/t12-/m1/s1
InChI Key:
ABZVMTMUUKQIJA-GFCCVEGCSA-N
SMILES:
O=C(N1CCC[C@H](C1)Nc1ccccn1)OC(C)(C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
277.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.368g/mol
Monoisotopic Mass:
277.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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