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1380917-77-0 | 1-Piperidinecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)amino]-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1380917-77-0 Catalog No: AG0017YY MDL No:
Product Description
Catalog Number:
AG0017YY
Chemical Name:
1-Piperidinecarboxylic acid, 3-[(2-chloro-4-pyrimidinyl)amino]-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1380917-77-0
Molecular Formula:
C14H21ClN4O2
Molecular Weight:
312.7951
IUPAC Name:
tert-butyl (3R)-3-[(2-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-8-4-5-10(9-19)17-11-6-7-16-12(15)18-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17,18)/t10-/m1/s1
InChI Key:
XEXLWJLNAAYBLU-SNVBAGLBSA-N
SMILES:
O=C(N1CCC[C@H](C1)Nc1ccnc(n1)Cl)OC(C)(C)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
312.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.798g/mol
Monoisotopic Mass:
312.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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