Home Carboxys 1-Piperidinecarboxylic acid, 4-(1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester

1-Piperidinecarboxylic acid, 4-(1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester

CAS No.:
278798-07-5
Catalog Number:
AG00BJTE
Molecular Formula:
C13H21N3O2
Molecular Weight:
251.3247
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Product Description
Catalog Number:
AG00BJTE
Chemical Name:
1-Piperidinecarboxylic acid, 4-(1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester
CAS Number:
278798-07-5
Molecular Formula:
C13H21N3O2
Molecular Weight:
251.3247
MDL Number:
MFCD18073243
IUPAC Name:
tert-butyl 4-(1H-pyrazol-5-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-8-5-10(6-9-16)11-4-7-14-15-11/h4,7,10H,5-6,8-9H2,1-3H3,(H,14,15)
InChI Key:
QZOZGYVJVHYVBZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1cc[nH]n1)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:
1  
Isotope Atom Count:
0
Molecular Weight:
251.33g/mol
Monoisotopic Mass:
251.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties