2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

C15H25NO2 — CID 63563843

IUPAC2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC(CCO)C1
InChIInChI=1S/C15H25NO2/c17-10-8-14-7-4-9-16(12-14)15(18)11-13-5-2-1-3-6-13/h5,14,17H,1-4,6-12H2
InChIKeyIWZSJVDHRKAZGD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.50
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 63563843) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID63563843
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC(CCO)C1
InChIInChI=1S/C15H25NO2/c17-10-8-14-7-4-9-16(12-14)15(18)11-13-5-2-1-3-6-13/h5,14,17H,1-4,6-12H2
InChIKeyIWZSJVDHRKAZGD-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(2-hydroxyethyl)-2-methyl-4,5,5a,8,9,9a-hexahydro-1H-2-benzazepin-3-one
CID 101016448
2-(Cyclohexen-1-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112329057
6-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-6-oxohexanoic acid
CID 66794675
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-5-hydroxypentan-1-one
CID 123654969
2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 38030151
Cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421245
Cyclohex-3-en-1-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422238
2-Bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 54878377
2-(Cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 55212759
1-[2-(Cyclohexen-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55213930
[1-(Cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methanol
CID 60957001
2-Cyclopent-2-en-1-yl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60957122

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 63563843) is 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCCC(CCO)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is IWZSJVDHRKAZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-10-8-14-7-4-9-16(12-14)15(18)11-13-5-2-1-3-6-13/h5,14,17H,1-4,6-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 251.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 63563843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).