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206274-24-0 | 1-Piperidinecarboxylic acid, 4-[(4-pyridinylmethyl)amino]-, 1,1-dimethylethyl ester
CAS No: 206274-24-0 Catalog No: AG002IEL MDL No:MFCD04114985
Product Description
Catalog Number:
AG002IEL
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(4-pyridinylmethyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
206274-24-0
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
MDL Number:
MFCD04114985
IUPAC Name:
tert-butyl 4-(pyridin-4-ylmethylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-10-6-14(7-11-19)18-12-13-4-8-17-9-5-13/h4-5,8-9,14,18H,6-7,10-12H2,1-3H3
InChI Key:
KVEICFWHRVQJAL-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NCc1ccncc1)OC(C)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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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