1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid

C18H20N2O2 — CID 3536798

IUPAC1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2ccccc2)c2ccncc2)C1
InChIInChI=1S/C18H20N2O2/c21-18(22)16-7-4-12-20(13-16)17(14-5-2-1-3-6-14)15-8-10-19-11-9-15/h1-3,5-6,8-11,16-17H,4,7,12-13H2,(H,21,22)
InChIKeyMDGYCIDZDGVRFW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.97
Rot. Bonds4

About 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid

1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 3536798) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
PubChem CID3536798
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(c2ccccc2)c2ccncc2)C1
InChIInChI=1S/C18H20N2O2/c21-18(22)16-7-4-12-20(13-16)17(14-5-2-1-3-6-14)15-8-10-19-11-9-15/h1-3,5-6,8-11,16-17H,4,7,12-13H2,(H,21,22)
InChIKeyMDGYCIDZDGVRFW-UHFFFAOYSA-N
XLogP2.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-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-[(3,4-dichlorophenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid
CID 3452120
1-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 3388039
1-[(4-bromophenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3920977
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193
(3R)-1-[(S)-carboxy(phenyl)methyl]piperidine-3-carboxylic acid
CID 129430805
1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765
1-[naphthalen-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 4562345
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5201610
1-[(3-methylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 4013318
1-[naphthalen-1-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5157264
1-[(3-methylphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 3559410
1-[(4-bromophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4266233

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid (CID 3536798) is 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(c2ccccc2)c2ccncc2)C1.
What is the InChIKey of 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is MDGYCIDZDGVRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(22)16-7-4-12-20(13-16)17(14-5-2-1-3-6-14)15-8-10-19-11-9-15/h1-3,5-6,8-11,16-17H,4,7,12-13H2,(H,21,22).
What are the key properties of 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid?
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3536798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).