1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid

C15H17FN2O2 — CID 106745068

IUPAC1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1Cc1cc(F)cc(C#N)c1
InChIInChI=1S/C15H17FN2O2/c1-10-4-13(15(19)20)2-3-18(10)9-12-5-11(8-17)6-14(16)7-12/h5-7,10,13H,2-4,9H2,1H3,(H,19,20)
InChIKeyGWSAXMVGWBTPRO-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.38
Rot. Bonds3

About 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid

1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745068) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106745068
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1Cc1cc(F)cc(C#N)c1
InChIInChI=1S/C15H17FN2O2/c1-10-4-13(15(19)20)2-3-18(10)9-12-5-11(8-17)6-14(16)7-12/h5-7,10,13H,2-4,9H2,1H3,(H,19,20)
InChIKeyGWSAXMVGWBTPRO-UHFFFAOYSA-N
XLogP2.38
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-cyanophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744930
1-[(2-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745130
1-[(3,4-difluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744824
1-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745111
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
1-[(4-carbamoylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745166
1-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745496
methyl 4-[(3-cyano-5-fluorophenyl)methyl]morpholine-3-carboxylate
CID 104775050
1-[(3-fluoro-5-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4022885
4-[(3-cyano-5-fluorophenyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 83098273
1-[(3-chloro-5-fluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084199
1-[(3-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745667

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid (CID 106745068) is 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1Cc1cc(F)cc(C#N)c1.
What is the InChIKey of 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is GWSAXMVGWBTPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10-4-13(15(19)20)2-3-18(10)9-12-5-11(8-17)6-14(16)7-12/h5-7,10,13H,2-4,9H2,1H3,(H,19,20).
What are the key properties of 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).