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

C16H24N2O2 — CID 65065016

IUPAC4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)c2cccnc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-6-16(15(19)20)7-10-18(11-8-16)13(2)14-5-4-9-17-12-14/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,19,20)
InChIKeyPSENTGFCHWUSQO-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.11
Rot. Bonds5

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

4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid (PubChem CID 65065016) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
PubChem CID65065016
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)c2cccnc2)CC1
InChIInChI=1S/C16H24N2O2/c1-3-6-16(15(19)20)7-10-18(11-8-16)13(2)14-5-4-9-17-12-14/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,19,20)
InChIKeyPSENTGFCHWUSQO-UHFFFAOYSA-N
XLogP3.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-1-[1-(1,3-thiazol-5-yl)ethyl]piperidine-4-carboxylic acid
CID 113487067
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
1-[1-(4-bromothiophen-2-yl)ethyl]-4-propylpiperidine-4-carboxylic acid
CID 107355402
1-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 65066590
4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 63127602
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
(1-aminocyclohexyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903354
[4-(1-pyridin-3-ylethyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081611
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid (CID 65065016) is 4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)c2cccnc2)CC1.
What is the InChIKey of 4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid?
The InChIKey is PSENTGFCHWUSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-6-16(15(19)20)7-10-18(11-8-16)13(2)14-5-4-9-17-12-14/h4-5,9,12-13H,3,6-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid?
4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65065016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).