4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine

C16H27N3 — CID 114705815

IUPAC4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine
SMILESCC(C1CCCCC1)n1cncc1C1CCNCC1
InChIInChI=1S/C16H27N3/c1-13(14-5-3-2-4-6-14)19-12-18-11-16(19)15-7-9-17-10-8-15/h11-15,17H,2-10H2,1H3
InChIKeyISJLKOGNFCLRKR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.49
Rot. Bonds3

About 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine

4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine (PubChem CID 114705815) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine
PubChem CID114705815
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine
SMILESCC(C1CCCCC1)n1cncc1C1CCNCC1
InChIInChI=1S/C16H27N3/c1-13(14-5-3-2-4-6-14)19-12-18-11-16(19)15-7-9-17-10-8-15/h11-15,17H,2-10H2,1H3
InChIKeyISJLKOGNFCLRKR-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
CID 114704625
4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine
CID 106212006
N,N-dimethyl-2-(5-piperidin-4-ylimidazol-1-yl)propanamide
CID 114705390
4-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]piperidine
CID 114706795
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
1-(5-cyclopropylimidazol-1-yl)ethanethiol
CID 147733505
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
2-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114721725
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
4-[3-(4-chlorophenyl)imidazol-4-yl]piperidine
CID 114702647

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine (CID 114705815) is 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine is CC(C1CCCCC1)n1cncc1C1CCNCC1.
What is the InChIKey of 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine?
The InChIKey is ISJLKOGNFCLRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(14-5-3-2-4-6-14)19-12-18-11-16(19)15-7-9-17-10-8-15/h11-15,17H,2-10H2,1H3.
What are the key properties of 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine?
4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-cyclohexylethyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114705815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).