2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine

C18H25N3 — CID 114719209

IUPAC2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCc1ccccc1C(C)n1cncc1C1CCCC(C)N1
InChIInChI=1S/C18H25N3/c1-13-7-4-5-9-16(13)15(3)21-12-19-11-18(21)17-10-6-8-14(2)20-17/h4-5,7,9,11-12,14-15,17,20H,6,8,10H2,1-3H3
InChIKeyYOSSJOPVIHICHA-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.00
Rot. Bonds3

About 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine

2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine (PubChem CID 114719209) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
PubChem CID114719209
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
SMILESCc1ccccc1C(C)n1cncc1C1CCCC(C)N1
InChIInChI=1S/C18H25N3/c1-13-7-4-5-9-16(13)15(3)21-12-19-11-18(21)17-10-6-8-14(2)20-17/h4-5,7,9,11-12,14-15,17,20H,6,8,10H2,1-3H3
InChIKeyYOSSJOPVIHICHA-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 114719041
2-[3-(dicyclopropylmethyl)imidazol-4-yl]-6-methylpiperidine
CID 114719576
2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114721154
2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114719364
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
CID 114718231
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
2-methyl-6-[3-(2-propylphenyl)imidazol-4-yl]piperidine
CID 114719236
2-methyl-6-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
CID 114717087
2-methyl-N-[[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151545
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114704559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The IUPAC name of 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine (CID 114719209) is 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine.
What is the SMILES notation for 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The canonical SMILES for 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine is Cc1ccccc1C(C)n1cncc1C1CCCC(C)N1.
What is the InChIKey of 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
The InChIKey is YOSSJOPVIHICHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-7-4-5-9-16(13)15(3)21-12-19-11-18(21)17-10-6-8-14(2)20-17/h4-5,7,9,11-12,14-15,17,20H,6,8,10H2,1-3H3.
What are the key properties of 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine?
2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine has a molecular weight of 283.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[1-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine is sourced from PubChem (CID 114719209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).