2-[3-(2-methylbutyl)imidazol-4-yl]piperidine

C13H23N3 — CID 114705654

IUPAC2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
SMILESCCC(C)Cn1cncc1C1CCCCN1
InChIInChI=1S/C13H23N3/c1-3-11(2)9-16-10-14-8-13(16)12-6-4-5-7-15-12/h8,10-12,15H,3-7,9H2,1-2H3
InChIKeyBXUWMZYMOHETAP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.74
Rot. Bonds4

About 2-[3-(2-methylbutyl)imidazol-4-yl]piperidine

2-[3-(2-methylbutyl)imidazol-4-yl]piperidine (PubChem CID 114705654) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[3-(2-methylbutyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
PubChem CID114705654
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
SMILESCCC(C)Cn1cncc1C1CCCCN1
InChIInChI=1S/C13H23N3/c1-3-11(2)9-16-10-14-8-13(16)12-6-4-5-7-15-12/h8,10-12,15H,3-7,9H2,1-2H3
InChIKeyBXUWMZYMOHETAP-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methylbutyl)imidazol-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-(2-methylbutyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(2-methylbutyl)imidazol-4-yl]piperidine (CID 114705654) is 2-[3-(2-methylbutyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(2-methylbutyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(2-methylbutyl)imidazol-4-yl]piperidine is CCC(C)Cn1cncc1C1CCCCN1.
What is the InChIKey of 2-[3-(2-methylbutyl)imidazol-4-yl]piperidine?
The InChIKey is BXUWMZYMOHETAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11(2)9-16-10-14-8-13(16)12-6-4-5-7-15-12/h8,10-12,15H,3-7,9H2,1-2H3.
What are the key properties of 2-[3-(2-methylbutyl)imidazol-4-yl]piperidine?
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylbutyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114705654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).