1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine

C16H21N3O — CID 56914073

IUPAC1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine
SMILESCc1cccc(OC2CCN(Cc3ncc[nH]3)CC2)c1
InChIInChI=1S/C16H21N3O/c1-13-3-2-4-15(11-13)20-14-5-9-19(10-6-14)12-16-17-7-8-18-16/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,17,18)
InChIKeyOWOFJAMWJKYVSQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds4

About 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine

1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine (PubChem CID 56914073) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine
PubChem CID56914073
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine
SMILESCc1cccc(OC2CCN(Cc3ncc[nH]3)CC2)c1
InChIInChI=1S/C16H21N3O/c1-13-3-2-4-15(11-13)20-14-5-9-19(10-6-14)12-16-17-7-8-18-16/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,17,18)
InChIKeyOWOFJAMWJKYVSQ-UHFFFAOYSA-N
XLogP2.76
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)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 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine?
The IUPAC name of 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine (CID 56914073) is 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine.
What is the SMILES notation for 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine?
The canonical SMILES for 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine is Cc1cccc(OC2CCN(Cc3ncc[nH]3)CC2)c1.
What is the InChIKey of 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine?
The InChIKey is OWOFJAMWJKYVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-3-2-4-15(11-13)20-14-5-9-19(10-6-14)12-16-17-7-8-18-16/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,17,18).
What are the key properties of 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine?
1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine has a molecular weight of 271.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylmethyl)-4-(3-methylphenoxy)piperidine is sourced from PubChem (CID 56914073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).