2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

C13H21NO2 — CID 63565360

IUPAC2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCC(O)CC1
InChIInChI=1S/C13H21NO2/c15-12-6-8-14(9-7-12)13(16)10-11-4-2-1-3-5-11/h4,12,15H,1-3,5-10H2
InChIKeyONSUDAJHKCPDDE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds2

About 2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 63565360) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID63565360
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCC(O)CC1
InChIInChI=1S/C13H21NO2/c15-12-6-8-14(9-7-12)13(16)10-11-4-2-1-3-5-11/h4,12,15H,1-3,5-10H2
InChIKeyONSUDAJHKCPDDE-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
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

2-(Cyclohexen-1-yl)-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 84592419
2-(Cyclohexen-1-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112329057
1-(4-Hydroxypiperidin-1-yl)octadec-9-en-1-one
CID 53830373
2-[4-(4-Hydroxypiperidin-1-yl)-4-oxobutyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 67159857
(Z)-1-(4-hydroxypiperidin-1-yl)octadec-9-en-1-one
CID 67649047
1-(4-Hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
CID 90697781
1-(4-Hydroxypiperidin-1-yl)-4-(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)butan-1-one
CID 90904324
(4-Hydroxypiperidin-1-yl)-(4-methylidenecyclohexyl)methanone
CID 91309164
1-(4-Hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one
CID 169232114
(8Z)-8-ethenyl-1-(3-hydroxypiperidin-1-yl)undeca-8,10-dien-1-one
CID 169232131
[2-(5-Cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 169232138
1-(Cyclohex-3-ene-1-carbonyl)piperidin-4-ol
CID 43415981

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 63565360) is 2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone is O=C(CC1=CCCCC1)N1CCC(O)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is ONSUDAJHKCPDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12-6-8-14(9-7-12)13(16)10-11-4-2-1-3-5-11/h4,12,15H,1-3,5-10H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(cyclohexen-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 223.32 g/mol, XLogP of 1.86, 2 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-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 63565360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).