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

C16H27N3 — CID 114706331

IUPAC2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
SMILESCC1CCC(n2cncc2C2CCCCN2)CC1C
InChIInChI=1S/C16H27N3/c1-12-6-7-14(9-13(12)2)19-11-17-10-16(19)15-5-3-4-8-18-15/h10-15,18H,3-9H2,1-2H3
InChIKeyCALMZXCXQLZTMJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.69
Rot. Bonds2

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

2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine (PubChem CID 114706331) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
PubChem CID114706331
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
SMILESCC1CCC(n2cncc2C2CCCCN2)CC1C
InChIInChI=1S/C16H27N3/c1-12-6-7-14(9-13(12)2)19-11-17-10-16(19)15-5-3-4-8-18-15/h10-15,18H,3-9H2,1-2H3
InChIKeyCALMZXCXQLZTMJ-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
2-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706226
2-[3-(4-ethylcyclohexyl)imidazol-4-yl]piperidine
CID 114704600
2-[3-(2,3-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114703362
1-(2,4-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706222
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]thiane 1-oxide
CID 104943786
1-(5-piperidin-2-ylimidazol-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 114704870
1-propyl-4-(5-pyrrolidin-2-ylimidazol-1-yl)piperidine
CID 114705022
3-(5-piperidin-2-ylimidazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 114703413
1-(2,2-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706666
1-(2,2-dimethylcyclopentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943398
1-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
CID 66149552

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine?
The IUPAC name of 2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine (CID 114706331) is 2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine?
The canonical SMILES for 2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine is CC1CCC(n2cncc2C2CCCCN2)CC1C.
What is the InChIKey of 2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine?
The InChIKey is CALMZXCXQLZTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-6-7-14(9-13(12)2)19-11-17-10-16(19)15-5-3-4-8-18-15/h10-15,18H,3-9H2,1-2H3.
What are the key properties of 2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine?
2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylcyclohexyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114706331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).