4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine

C15H27N3 — CID 114102709

IUPAC4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
SMILESCC(C)C(C)(C)Cn1cncc1C1CCNCC1
InChIInChI=1S/C15H27N3/c1-12(2)15(3,4)10-18-11-17-9-14(18)13-5-7-16-8-6-13/h9,11-13,16H,5-8,10H2,1-4H3
InChIKeyHPDJVIDAXUHYAT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.03
Rot. Bonds4

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

4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine (PubChem CID 114102709) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
PubChem CID114102709
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
SMILESCC(C)C(C)(C)Cn1cncc1C1CCNCC1
InChIInChI=1S/C15H27N3/c1-12(2)15(3,4)10-18-11-17-9-14(18)13-5-7-16-8-6-13/h9,11-13,16H,5-8,10H2,1-4H3
InChIKeyHPDJVIDAXUHYAT-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2,2,3-trimethylbutyl)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

Related Compounds

4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
CID 114112555
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
CID 114704625
4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine
CID 114705815
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
1-(2-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole
CID 114117594
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979
4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine
CID 114706757
4,5-dimethyl-2-[(5-piperidin-4-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 106377569
4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine
CID 106212006
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine (CID 114102709) is 4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine is CC(C)C(C)(C)Cn1cncc1C1CCNCC1.
What is the InChIKey of 4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine?
The InChIKey is HPDJVIDAXUHYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)15(3,4)10-18-11-17-9-14(18)13-5-7-16-8-6-13/h9,11-13,16H,5-8,10H2,1-4H3.
What are the key properties of 4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine?
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine has a molecular weight of 249.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114102709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).