Home Carboxys 1-(pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride

1-(pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride

CAS No.:
1375474-40-0
Catalog Number:
AG01AK3G
Molecular Formula:
C10H14ClN3O2
Molecular Weight:
243.6901
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Product Description
Catalog Number:
AG01AK3G
Chemical Name:
1-(pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride
CAS Number:
1375474-40-0
Molecular Formula:
C10H14ClN3O2
Molecular Weight:
243.6901
MDL Number:
MFCD12404930
IUPAC Name:
1-pyrimidin-4-ylpiperidine-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C10H13N3O2.ClH/c14-10(15)8-2-5-13(6-3-8)9-1-4-11-7-12-9;/h1,4,7-8H,2-3,5-6H2,(H,14,15);1H
InChI Key:
BSMKLKICYMATEN-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1ccncn1.Cl
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.691g/mol
Monoisotopic Mass:
243.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties