2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine

C15H26N2 — CID 146587440

IUPAC2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(C2CNCCC2C2CCCC2)NC1
InChIInChI=1S/C15H26N2/c1-2-6-12(5-1)13-8-10-16-11-14(13)15-7-3-4-9-17-15/h3-4,12-17H,1-2,5-11H2
InChIKeyAHCLWJRRXRLQJE-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.32
Rot. Bonds2

About 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine

2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 146587440) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID146587440
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine
SMILESC1=CCC(C2CNCCC2C2CCCC2)NC1
InChIInChI=1S/C15H26N2/c1-2-6-12(5-1)13-8-10-16-11-14(13)15-7-3-4-9-17-15/h3-4,12-17H,1-2,5-11H2
InChIKeyAHCLWJRRXRLQJE-UHFFFAOYSA-N
XLogP2.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine (CID 146587440) is 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine is C1=CCC(C2CNCCC2C2CCCC2)NC1.
What is the InChIKey of 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is AHCLWJRRXRLQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-6-12(5-1)13-8-10-16-11-14(13)15-7-3-4-9-17-15/h3-4,12-17H,1-2,5-11H2.
What are the key properties of 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine?
2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 234.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperidin-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 146587440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).