2-(3-methylimidazol-4-yl)piperidine

C9H15N3 — CID 82596980

IUPAC2-(3-methylimidazol-4-yl)piperidine
SMILESCn1cncc1C1CCCCN1
InChIInChI=1S/C9H15N3/c1-12-7-10-6-9(12)8-4-2-3-5-11-8/h6-8,11H,2-5H2,1H3
InChIKeyADTPDEYYFOVJIM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.23
Rot. Bonds1

About 2-(3-methylimidazol-4-yl)piperidine

2-(3-methylimidazol-4-yl)piperidine (PubChem CID 82596980) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)piperidine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)piperidine
PubChem CID82596980
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-(3-methylimidazol-4-yl)piperidine
SMILESCn1cncc1C1CCCCN1
InChIInChI=1S/C9H15N3/c1-12-7-10-6-9(12)8-4-2-3-5-11-8/h6-8,11H,2-5H2,1H3
InChIKeyADTPDEYYFOVJIM-UHFFFAOYSA-N
XLogP1.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylimidazol-4-yl)piperidine 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-(3-methylimidazol-4-yl)piperidine?
The IUPAC name of 2-(3-methylimidazol-4-yl)piperidine (CID 82596980) is 2-(3-methylimidazol-4-yl)piperidine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)piperidine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)piperidine is Cn1cncc1C1CCCCN1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)piperidine?
The InChIKey is ADTPDEYYFOVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-7-10-6-9(12)8-4-2-3-5-11-8/h6-8,11H,2-5H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)piperidine?
2-(3-methylimidazol-4-yl)piperidine has a molecular weight of 165.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)piperidine is sourced from PubChem (CID 82596980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).