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

C13H18N2O2 — CID 4272805

IUPAC1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
SMILESCC(c1cccnc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H18N2O2/c1-10(12-3-2-6-14-9-12)15-7-4-11(5-8-15)13(16)17/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyMSMMVCCZTGCIHD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.94
Rot. Bonds3

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

1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid (PubChem CID 4272805) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
PubChem CID4272805
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
SMILESCC(c1cccnc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H18N2O2/c1-10(12-3-2-6-14-9-12)15-7-4-11(5-8-15)13(16)17/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyMSMMVCCZTGCIHD-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
3-[(1R)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyridine
CID 95276591
1-[(3-methyl-4-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 4236669
1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5091843
1-[2-[[(1S)-1-pyridin-3-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103258227
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
1-[(5-chlorothiophen-2-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5003314
1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid
CID 5161805
1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 3968223
4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 65065016
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid (CID 4272805) is 1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid is CC(c1cccnc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid?
The InChIKey is MSMMVCCZTGCIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(12-3-2-6-14-9-12)15-7-4-11(5-8-15)13(16)17/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid?
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 4272805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).