4-(1H-imidazol-5-ylmethylidene)piperidine

C9H13N3 — CID 11788475

IUPAC4-(1H-imidazol-5-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)c1cnc[nH]1
InChIInChI=1S/C9H13N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h5-7,10H,1-4H2,(H,11,12)
InChIKeyJMLMXWQMJKUERA-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.18
Rot. Bonds1

About 4-(1H-imidazol-5-ylmethylidene)piperidine

4-(1H-imidazol-5-ylmethylidene)piperidine (PubChem CID 11788475) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethylidene)piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethylidene)piperidine
PubChem CID11788475
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-(1H-imidazol-5-ylmethylidene)piperidine
SMILESC(=C1CCNCC1)c1cnc[nH]1
InChIInChI=1S/C9H13N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h5-7,10H,1-4H2,(H,11,12)
InChIKeyJMLMXWQMJKUERA-UHFFFAOYSA-N
XLogP1.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1H-imidazol-5-ylmethylidene)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-(1H-imidazol-5-ylmethylidene)piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethylidene)piperidine (CID 11788475) is 4-(1H-imidazol-5-ylmethylidene)piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethylidene)piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethylidene)piperidine is C(=C1CCNCC1)c1cnc[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethylidene)piperidine?
The InChIKey is JMLMXWQMJKUERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h5-7,10H,1-4H2,(H,11,12).
What are the key properties of 4-(1H-imidazol-5-ylmethylidene)piperidine?
4-(1H-imidazol-5-ylmethylidene)piperidine has a molecular weight of 163.22 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethylidene)piperidine is sourced from PubChem (CID 11788475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).