4-(3-benzylimidazol-4-yl)-4-methylpiperidine

C16H21N3 — CID 114716257

IUPAC4-(3-benzylimidazol-4-yl)-4-methylpiperidine
SMILESCC1(c2cncn2Cc2ccccc2)CCNCC1
InChIInChI=1S/C16H21N3/c1-16(7-9-17-10-8-16)15-11-18-13-19(15)12-14-5-3-2-4-6-14/h2-6,11,13,17H,7-10,12H2,1H3
InChIKeyGVTXNHTYYVSEEF-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.57
Rot. Bonds3

About 4-(3-benzylimidazol-4-yl)-4-methylpiperidine

4-(3-benzylimidazol-4-yl)-4-methylpiperidine (PubChem CID 114716257) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(3-benzylimidazol-4-yl)-4-methylpiperidine.

Molecular Properties

Compound Name4-(3-benzylimidazol-4-yl)-4-methylpiperidine
PubChem CID114716257
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(3-benzylimidazol-4-yl)-4-methylpiperidine
SMILESCC1(c2cncn2Cc2ccccc2)CCNCC1
InChIInChI=1S/C16H21N3/c1-16(7-9-17-10-8-16)15-11-18-13-19(15)12-14-5-3-2-4-6-14/h2-6,11,13,17H,7-10,12H2,1H3
InChIKeyGVTXNHTYYVSEEF-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-benzylimidazol-4-yl)-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 4-(3-benzylimidazol-4-yl)-4-methylpiperidine?
The IUPAC name of 4-(3-benzylimidazol-4-yl)-4-methylpiperidine (CID 114716257) is 4-(3-benzylimidazol-4-yl)-4-methylpiperidine.
What is the SMILES notation for 4-(3-benzylimidazol-4-yl)-4-methylpiperidine?
The canonical SMILES for 4-(3-benzylimidazol-4-yl)-4-methylpiperidine is CC1(c2cncn2Cc2ccccc2)CCNCC1.
What is the InChIKey of 4-(3-benzylimidazol-4-yl)-4-methylpiperidine?
The InChIKey is GVTXNHTYYVSEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(7-9-17-10-8-16)15-11-18-13-19(15)12-14-5-3-2-4-6-14/h2-6,11,13,17H,7-10,12H2,1H3.
What are the key properties of 4-(3-benzylimidazol-4-yl)-4-methylpiperidine?
4-(3-benzylimidazol-4-yl)-4-methylpiperidine has a molecular weight of 255.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzylimidazol-4-yl)-4-methylpiperidine is sourced from PubChem (CID 114716257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).