3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine

C13H19N5 — CID 84593323

IUPAC3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine
SMILESCC1CCN(Cc2ncc[nH]2)CC1n1ccnc1
InChIInChI=1S/C13H19N5/c1-11-2-6-17(9-13-15-3-4-16-13)8-12(11)18-7-5-14-10-18/h3-5,7,10-12H,2,6,8-9H2,1H3,(H,15,16)
InChIKeyLPXMLZIBENDAJC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds3

About 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine

3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine (PubChem CID 84593323) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine.

Molecular Properties

Compound Name3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine
PubChem CID84593323
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine
SMILESCC1CCN(Cc2ncc[nH]2)CC1n1ccnc1
InChIInChI=1S/C13H19N5/c1-11-2-6-17(9-13-15-3-4-16-13)8-12(11)18-7-5-14-10-18/h3-5,7,10-12H,2,6,8-9H2,1H3,(H,15,16)
InChIKeyLPXMLZIBENDAJC-UHFFFAOYSA-N
XLogP1.69
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine 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 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine?
The IUPAC name of 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine (CID 84593323) is 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine.
What is the SMILES notation for 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine?
The canonical SMILES for 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine is CC1CCN(Cc2ncc[nH]2)CC1n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine?
The InChIKey is LPXMLZIBENDAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-11-2-6-17(9-13-15-3-4-16-13)8-12(11)18-7-5-14-10-18/h3-5,7,10-12H,2,6,8-9H2,1H3,(H,15,16).
What are the key properties of 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine?
3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine has a molecular weight of 245.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-(1H-imidazol-2-ylmethyl)-4-methylpiperidine is sourced from PubChem (CID 84593323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).