2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol

C17H27N3O — CID 56710356

IUPAC2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(Cn2ccnc2C2CC=CCC2)CC1
InChIInChI=1S/C17H27N3O/c21-13-12-19-9-6-15(7-10-19)14-20-11-8-18-17(20)16-4-2-1-3-5-16/h1-2,8,11,15-16,21H,3-7,9-10,12-14H2
InChIKeyTYDKNFLJXWBOHI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol

2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol (PubChem CID 56710356) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol
PubChem CID56710356
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(Cn2ccnc2C2CC=CCC2)CC1
InChIInChI=1S/C17H27N3O/c21-13-12-19-9-6-15(7-10-19)14-20-11-8-18-17(20)16-4-2-1-3-5-16/h1-2,8,11,15-16,21H,3-7,9-10,12-14H2
InChIKeyTYDKNFLJXWBOHI-UHFFFAOYSA-N
XLogP2.41
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[(1-Ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 53622462
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CID 95230512
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazol-1-ium-1-yl]ethanol
CID 16205236
4-[[1-[[(1R,6R)-6-(trifluoromethyl)cyclohex-3-en-1-yl]methyl]imidazol-2-yl]methyl]morpholine
CID 166274514
N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 56759916
2-(2-Heptadec-2-enylimidazol-1-yl)ethanol
CID 54492493
2-[3-[5-(3-propyl-3H-pyrrol-1-ium-1-yl)pentyl]imidazol-3-ium-1-yl]ethanol
CID 58140526
2-[1-[5-[3-(2-hydroxyethyl)imidazol-1-ium-1-yl]pentyl]-3H-pyrrol-1-ium-3-yl]ethanol
CID 58140535
1-(2-Heptadec-8-enylimidazol-1-yl)ethanol
CID 70134311
2-[1-[1-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]pentyl]-3H-pyrrol-1-ium-3-yl]ethanol
CID 89164269
2-Cyclohex-3-en-1-yl-1-methylimidazole
CID 89791874
2-[3-[(Z)-heptadec-8-enyl]imidazol-3-ium-1-yl]ethanol chloride
CID 141405683

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol (CID 56710356) is 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol is OCCN1CCC(Cn2ccnc2C2CC=CCC2)CC1.
What is the InChIKey of 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol?
The InChIKey is TYDKNFLJXWBOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-13-12-19-9-6-15(7-10-19)14-20-11-8-18-17(20)16-4-2-1-3-5-16/h1-2,8,11,15-16,21H,3-7,9-10,12-14H2.
What are the key properties of 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol?
2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol has a molecular weight of 289.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclohex-3-en-1-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56710356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).