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Home Carboxys 4-Piperidinecarboxylicacid,1-pyrazinyl-(9CI)

4-Piperidinecarboxylicacid,1-pyrazinyl-(9CI)

CAS No.:
606104-21-6
Catalog Number:
AG00EG1O
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.2291
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Product Description
Catalog Number:
AG00EG1O
Chemical Name:
4-Piperidinecarboxylicacid,1-pyrazinyl-(9CI)
CAS Number:
606104-21-6
Molecular Formula:
C10H13N3O2
Molecular Weight:
207.2291
MDL Number:
MFCD03860652
IUPAC Name:
1-pyrazin-2-ylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C10H13N3O2/c14-10(15)8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChI Key:
TXAFIGZHASGILY-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)c1nccnc1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.101g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.233g/mol
Monoisotopic Mass:
207.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties