4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine

C13H23N3 — CID 82463399

IUPAC4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine
SMILESCn1cc(C(C)(C)C)nc1C1CCNCC1
InChIInChI=1S/C13H23N3/c1-13(2,3)11-9-16(4)12(15-11)10-5-7-14-8-6-10/h9-10,14H,5-8H2,1-4H3
InChIKeyYCCWGXUVWYDTGK-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.18
Rot. Bonds1

About 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine

4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine (PubChem CID 82463399) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine
PubChem CID82463399
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine
SMILESCn1cc(C(C)(C)C)nc1C1CCNCC1
InChIInChI=1S/C13H23N3/c1-13(2,3)11-9-16(4)12(15-11)10-5-7-14-8-6-10/h9-10,14H,5-8H2,1-4H3
InChIKeyYCCWGXUVWYDTGK-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-tert-butyl-1-methylimidazol-2-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 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine?
The IUPAC name of 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine (CID 82463399) is 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine?
The canonical SMILES for 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine is Cn1cc(C(C)(C)C)nc1C1CCNCC1.
What is the InChIKey of 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine?
The InChIKey is YCCWGXUVWYDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)11-9-16(4)12(15-11)10-5-7-14-8-6-10/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine?
4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 82463399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).