4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid

C13H18N2O2 — CID 150860508

IUPAC4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid
SMILESCCc1cncc(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C13H18N2O2/c1-2-10-7-12(9-14-8-10)11-3-5-15(6-4-11)13(16)17/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyKRXLSMJAFPVKKA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.50
Rot. Bonds2

About 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid

4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid (PubChem CID 150860508) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid
PubChem CID150860508
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid
SMILESCCc1cncc(C2CCN(C(=O)O)CC2)c1
InChIInChI=1S/C13H18N2O2/c1-2-10-7-12(9-14-8-10)11-3-5-15(6-4-11)13(16)17/h7-9,11H,2-6H2,1H3,(H,16,17)
InChIKeyKRXLSMJAFPVKKA-UHFFFAOYSA-N
XLogP2.50
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid (CID 150860508) is 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid is CCc1cncc(C2CCN(C(=O)O)CC2)c1.
What is the InChIKey of 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid?
The InChIKey is KRXLSMJAFPVKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-10-7-12(9-14-8-10)11-3-5-15(6-4-11)13(16)17/h7-9,11H,2-6H2,1H3,(H,16,17).
What are the key properties of 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid?
4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 150860508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).