Home Carboxys 1-[(tert-butoxy)carbonyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid

1-[(tert-butoxy)carbonyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid

CAS No.:
1159835-39-8
Catalog Number:
AG019VX2
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
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Product Description
Catalog Number:
AG019VX2
Chemical Name:
1-[(tert-butoxy)carbonyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CAS Number:
1159835-39-8
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
MDL Number:
MFCD12197379
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C14H21N3O4/c1-13(2,3)21-12(20)16-9-5-14(6-10-16,11(18)19)17-8-4-7-15-17/h4,7-8H,5-6,9-10H2,1-3H3,(H,18,19)
InChI Key:
WPLWDUSUZDMDDB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(C(=O)O)n1cccn1)OC(C)(C)C
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.339g/mol
Monoisotopic Mass:
295.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties