Home Carboxys 1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxylic acid

1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxylic acid

CAS No.:
1146290-39-2
Catalog Number:
AG019V2L
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
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Product Description
Catalog Number:
AG019V2L
Chemical Name:
1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxylic acid
CAS Number:
1146290-39-2
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
MDL Number:
MFCD11858103
IUPAC Name:
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
InChI:
InChI=1S/C11H17N3O2/c1-13-7-4-12-10(13)8-14-5-2-9(3-6-14)11(15)16/h4,7,9H,2-3,5-6,8H2,1H3,(H,15,16)
InChI Key:
CFMOKBUCAUKLKX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)Cc1nccn1C
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4  
Properties