2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine

C17H22ClN3 — CID 114719041

IUPAC2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2C(C)c2cccc(Cl)c2)N1
InChIInChI=1S/C17H22ClN3/c1-12-5-3-8-16(20-12)17-10-19-11-21(17)13(2)14-6-4-7-15(18)9-14/h4,6-7,9-13,16,20H,3,5,8H2,1-2H3
InChIKeyLTNKVOSGABKWMI-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.35
Rot. Bonds3

About 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine

2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine (PubChem CID 114719041) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine
PubChem CID114719041
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2C(C)c2cccc(Cl)c2)N1
InChIInChI=1S/C17H22ClN3/c1-12-5-3-8-16(20-12)17-10-19-11-21(17)13(2)14-6-4-7-15(18)9-14/h4,6-7,9-13,16,20H,3,5,8H2,1-2H3
InChIKeyLTNKVOSGABKWMI-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114719209
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150084
2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107371278
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685542
2-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704684
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114706687
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
CID 114718231

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine?
The IUPAC name of 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine (CID 114719041) is 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine.
What is the SMILES notation for 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine?
The canonical SMILES for 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine is CC1CCCC(c2cncn2C(C)c2cccc(Cl)c2)N1.
What is the InChIKey of 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine?
The InChIKey is LTNKVOSGABKWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12-5-3-8-16(20-12)17-10-19-11-21(17)13(2)14-6-4-7-15(18)9-14/h4,6-7,9-13,16,20H,3,5,8H2,1-2H3.
What are the key properties of 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine?
2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine has a molecular weight of 303.84 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine is sourced from PubChem (CID 114719041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).