2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine

C17H23N3O — CID 114716493

IUPAC2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
SMILESCOc1ccc(Cn2cncc2C2CCCC(C)N2)cc1
InChIInChI=1S/C17H23N3O/c1-13-4-3-5-16(19-13)17-10-18-12-20(17)11-14-6-8-15(21-2)9-7-14/h6-10,12-13,16,19H,3-5,11H2,1-2H3
InChIKeyRPOBTVLORROPJY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.14
Rot. Bonds4

About 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine

2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine (PubChem CID 114716493) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
PubChem CID114716493
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
SMILESCOc1ccc(Cn2cncc2C2CCCC(C)N2)cc1
InChIInChI=1S/C17H23N3O/c1-13-4-3-5-16(19-13)17-10-18-12-20(17)11-14-6-8-15(21-2)9-7-14/h6-10,12-13,16,19H,3-5,11H2,1-2H3
InChIKeyRPOBTVLORROPJY-UHFFFAOYSA-N
XLogP3.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941677
1-[(4-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114702895
1-[2-(4-methoxyphenyl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114702887
2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
CID 114718231
1-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 114704435
N-(2-methoxyethyl)-N-methyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]ethanamine
CID 114720032
trans-methyl (1S,2S)-2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]cyclopropane-1-carboxylate
CID 139468851
2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114721154
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine
CID 114721451
N-ethyl-3-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]propanamide
CID 114721853

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine?
The IUPAC name of 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine (CID 114716493) is 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine.
What is the SMILES notation for 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine?
The canonical SMILES for 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine is COc1ccc(Cn2cncc2C2CCCC(C)N2)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine?
The InChIKey is RPOBTVLORROPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-4-3-5-16(19-13)17-10-18-12-20(17)11-14-6-8-15(21-2)9-7-14/h6-10,12-13,16,19H,3-5,11H2,1-2H3.
What are the key properties of 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine?
2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine has a molecular weight of 285.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine is sourced from PubChem (CID 114716493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).