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182416-05-3 | 1-Piperidinecarboxylic acid, 4-(2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 182416-05-3 Catalog No: AG0023V0 MDL No:
Product Description
Catalog Number:
AG0023V0
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
182416-05-3
Molecular Formula:
C14H21N3O2
Molecular Weight:
263.3354
IUPAC Name:
tert-butyl 4-pyrimidin-2-ylpiperidine-1-carboxylate
InChI:
InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-9-5-11(6-10-17)12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3
InChI Key:
ISNSIRJTXRMJAP-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ncccn1)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.341g/mol
Monoisotopic Mass:
263.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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