4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine

C18H31N3 — CID 56865343

IUPAC4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine
SMILESCC(C)(C)c1nccn1CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H31N3/c1-18(2,3)17-19-10-13-21(17)14-15-8-11-20(12-9-15)16-6-4-5-7-16/h10,13,15-16H,4-9,11-12,14H2,1-3H3
InChIKeyXMVVEUNAPPPVTN-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.84
Rot. Bonds3

About 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine

4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine (PubChem CID 56865343) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine.

Molecular Properties

Compound Name4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine
PubChem CID56865343
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine
SMILESCC(C)(C)c1nccn1CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H31N3/c1-18(2,3)17-19-10-13-21(17)14-15-8-11-20(12-9-15)16-6-4-5-7-16/h10,13,15-16H,4-9,11-12,14H2,1-3H3
InChIKeyXMVVEUNAPPPVTN-UHFFFAOYSA-N
XLogP3.84
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-[[2-(2,2-dimethyloxan-4-yl)imidazol-1-yl]methyl]piperidine
CID 56870394
N-[[1-(cyclopentylmethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55048482
1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567048
1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106563035
1-(cyclopentylmethyl)imidazole-2-carboxylic acid
CID 84665405
N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
1-(cyclobutylmethyl)-N-ethylimidazol-2-amine
CID 106561466
2-(2-tert-butylimidazol-1-yl)acetonitrile
CID 82561565
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
CID 155911076
3-[(1-cyclohexylpiperidin-4-yl)methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126943917
2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol
CID 29001022
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine?
The IUPAC name of 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine (CID 56865343) is 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine.
What is the SMILES notation for 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine?
The canonical SMILES for 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine is CC(C)(C)c1nccn1CC1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine?
The InChIKey is XMVVEUNAPPPVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(2,3)17-19-10-13-21(17)14-15-8-11-20(12-9-15)16-6-4-5-7-16/h10,13,15-16H,4-9,11-12,14H2,1-3H3.
What are the key properties of 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine?
4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine has a molecular weight of 289.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylimidazol-1-yl)methyl]-1-cyclopentylpiperidine is sourced from PubChem (CID 56865343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).