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1269429-29-9 | 1-Piperidinecarboxylic acid, 4-(1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester
CAS No: 1269429-29-9 Catalog No: AG000WFE MDL No:
Product Description
Catalog Number:
AG000WFE
Chemical Name:
1-Piperidinecarboxylic acid, 4-(1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
1269429-29-9
Molecular Formula:
C13H21N3O2
Molecular Weight:
251.3247
IUPAC Name:
tert-butyl 4-pyrazol-1-ylpiperidine-1-carboxylate
InChI:
InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)15-9-5-11(6-10-15)16-8-4-7-14-16/h4,7-8,11H,5-6,9-10H2,1-3H3
InChI Key:
KHHRPZUMRVYLNP-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)n1cccn1)OC(C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.33g/mol
Monoisotopic Mass:
251.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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