2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone

C13H21NO2 — CID 63565361

IUPAC2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC(O)C1
InChIInChI=1S/C13H21NO2/c15-12-7-4-8-14(10-12)13(16)9-11-5-2-1-3-6-11/h5,12,15H,1-4,6-10H2
InChIKeyCROQRVYTPOMSTP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds2

About 2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone

2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 63565361) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID63565361
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC(O)C1
InChIInChI=1S/C13H21NO2/c15-12-7-4-8-14(10-12)13(16)9-11-5-2-1-3-6-11/h5,12,15H,1-4,6-10H2
InChIKeyCROQRVYTPOMSTP-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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 63565361) is 2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(CC1=CCCCC1)N1CCCC(O)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is CROQRVYTPOMSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-12-7-4-8-14(10-12)13(16)9-11-5-2-1-3-6-11/h5,12,15H,1-4,6-10H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(cyclohexen-1-yl)-1-(3-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-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 63565361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).