2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine

C17H29N3 — CID 114721223

IUPAC2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2C2CCCCC2(C)C)N1
InChIInChI=1S/C17H29N3/c1-13-7-6-8-14(19-13)15-11-18-12-20(15)16-9-4-5-10-17(16,2)3/h11-14,16,19H,4-10H2,1-3H3
InChIKeyVFPJIELDYMRRAN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.23
Rot. Bonds2

About 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine

2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine (PubChem CID 114721223) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine
PubChem CID114721223
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2C2CCCCC2(C)C)N1
InChIInChI=1S/C17H29N3/c1-13-7-6-8-14(19-13)15-11-18-12-20(15)16-9-4-5-10-17(16,2)3/h11-14,16,19H,4-10H2,1-3H3
InChIKeyVFPJIELDYMRRAN-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706666
1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943398
2-methyl-6-[3-(2-methylcyclohexyl)imidazol-4-yl]piperidine
CID 114717087
2-methyl-6-[3-(2-methylcyclopentyl)imidazol-4-yl]piperidine
CID 114720496
2-[3-(dicyclopropylmethyl)imidazol-4-yl]-6-methylpiperidine
CID 114719576
2-methyl-6-[3-(4-methyloxan-4-yl)imidazol-4-yl]piperidine
CID 114722066
2-methyl-6-[3-(1-methylpyrazol-4-yl)imidazol-4-yl]piperidine
CID 114717939
2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine
CID 114721451
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
CID 114721475
2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
2-methyl-6-(3-pentan-2-ylimidazol-4-yl)piperidine
CID 114716663
2-[3-(3-chloro-5-fluorophenyl)imidazol-4-yl]-6-methylpiperidine
CID 107371278

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine?
The IUPAC name of 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine (CID 114721223) is 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine.
What is the SMILES notation for 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine?
The canonical SMILES for 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine is CC1CCCC(c2cncn2C2CCCCC2(C)C)N1.
What is the InChIKey of 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine?
The InChIKey is VFPJIELDYMRRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13-7-6-8-14(19-13)15-11-18-12-20(15)16-9-4-5-10-17(16,2)3/h11-14,16,19H,4-10H2,1-3H3.
What are the key properties of 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine?
2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine has a molecular weight of 275.44 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylcyclohexyl)imidazol-4-yl]-6-methylpiperidine is sourced from PubChem (CID 114721223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).