1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

C14H20N2O2 — CID 68587067

IUPAC1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESCCN1CCCC(Cc2ccncc2)(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-2-16-9-3-6-14(11-16,13(17)18)10-12-4-7-15-8-5-12/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,18)
InChIKeyPNMCOWCIZUIYLO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds4

About 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid

1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 68587067) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
PubChem CID68587067
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
SMILESCCN1CCCC(Cc2ccncc2)(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-2-16-9-3-6-14(11-16,13(17)18)10-12-4-7-15-8-5-12/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,18)
InChIKeyPNMCOWCIZUIYLO-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

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Related Compounds

3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 72881029
3-[(2-methylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 56863920
(3R)-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 95402837
3-methyl-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylic acid
CID 63136416
(3R)-3-[(4-fluorophenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 95558835
(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 97115296
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 103719549
(3R)-3-[(3-chlorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95502115
(3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579687
3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 56862776
(3S)-3-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxylic acid
CID 95403155
1-[(3-ethylimidazol-4-yl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 66134971

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid (CID 68587067) is 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is CCN1CCCC(Cc2ccncc2)(C(=O)O)C1.
What is the InChIKey of 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is PNMCOWCIZUIYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16-9-3-6-14(11-16,13(17)18)10-12-4-7-15-8-5-12/h4-5,7-8H,2-3,6,9-11H2,1H3,(H,17,18).
What are the key properties of 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid?
1-ethyl-3-(pyridin-4-ylmethyl)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 1-ethyl-3-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 68587067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).