3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid

C14H20N2O2 — CID 63136416

IUPAC3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CCc2ccncc2)C1
InChIInChI=1S/C14H20N2O2/c1-14(13(17)18)6-2-9-16(11-14)10-5-12-3-7-15-8-4-12/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeySJWSUYIRYYTPOR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds4

About 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid

3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid (PubChem CID 63136416) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
PubChem CID63136416
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CCc2ccncc2)C1
InChIInChI=1S/C14H20N2O2/c1-14(13(17)18)6-2-9-16(11-14)10-5-12-3-7-15-8-4-12/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18)
InChIKeySJWSUYIRYYTPOR-UHFFFAOYSA-N
XLogP1.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(2-pyridin-4-ylethyl)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

3-methyl-1-(pyridin-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136006
1-(3-fluoropropyl)-3-methylpiperidine-3-carboxylic acid
CID 81113759
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 124989292
3-methyl-1-(2-phenylsulfanylethyl)piperidine-3-carboxylic acid
CID 79228539
methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
CID 161215347
3-methyl-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylic acid
CID 63137246
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019
3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid
CID 82907174
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 68587067
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 63136652

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid (CID 63136416) is 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(CCc2ccncc2)C1.
What is the InChIKey of 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid?
The InChIKey is SJWSUYIRYYTPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(13(17)18)6-2-9-16(11-14)10-5-12-3-7-15-8-4-12/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,18).
What are the key properties of 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).