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

C16H27N3 — CID 114706230

IUPAC3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
SMILESCC1CCC(n2cncc2C2CCCNC2)C(C)C1
InChIInChI=1S/C16H27N3/c1-12-5-6-15(13(2)8-12)19-11-18-10-16(19)14-4-3-7-17-9-14/h10-15,17H,3-9H2,1-2H3
InChIKeyZMPXVDSWKXKPKQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.35
Rot. Bonds2

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

3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine (PubChem CID 114706230) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
PubChem CID114706230
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
SMILESCC1CCC(n2cncc2C2CCCNC2)C(C)C1
InChIInChI=1S/C16H27N3/c1-12-5-6-15(13(2)8-12)19-11-18-10-16(19)14-4-3-7-17-9-14/h10-15,17H,3-9H2,1-2H3
InChIKeyZMPXVDSWKXKPKQ-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylcyclohexyl)-5-pyrrolidin-2-ylimidazole
CID 114706222
2-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine
CID 114706226
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
4-[5-(azetidin-3-yl)imidazol-1-yl]-1,3-dimethylpiperidine
CID 114722747
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]piperidine
CID 114705510
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
3-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]piperidine
CID 102909112
3-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]piperidine
CID 114705795

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine?
The IUPAC name of 3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine (CID 114706230) is 3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine?
The canonical SMILES for 3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine is CC1CCC(n2cncc2C2CCCNC2)C(C)C1.
What is the InChIKey of 3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine?
The InChIKey is ZMPXVDSWKXKPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-5-6-15(13(2)8-12)19-11-18-10-16(19)14-4-3-7-17-9-14/h10-15,17H,3-9H2,1-2H3.
What are the key properties of 3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine?
3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dimethylcyclohexyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114706230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).