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2971-79-1 | 4-Piperidinecarboxylic acid, methyl ester
CAS No: 2971-79-1 Catalog No: AG002Z6C MDL No:MFCD00190578
Product Description
Catalog Number:
AG002Z6C
Chemical Name:
4-Piperidinecarboxylic acid, methyl ester
CAS Number:
2971-79-1
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD00190578
IUPAC Name:
methyl piperidine-4-carboxylate
InChI:
InChI=1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3
InChI Key:
RZVWBASHHLFBJF-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCNCC1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. | Journal of medicinal chemistry 20101111 |
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