2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

C14H24N2O2 — CID 63565178

IUPAC2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C14H24N2O2/c17-11-10-15-6-8-16(9-7-15)14(18)12-13-4-2-1-3-5-13/h4,17H,1-3,5-12H2
InChIKeyBOMDMKFDRINRHL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.01
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (PubChem CID 63565178) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
PubChem CID63565178
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C14H24N2O2/c17-11-10-15-6-8-16(9-7-15)14(18)12-13-4-2-1-3-5-13/h4,17H,1-3,5-12H2
InChIKeyBOMDMKFDRINRHL-UHFFFAOYSA-N
XLogP1.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone (CID 63565178) is 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCN(CCO)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
The InChIKey is BOMDMKFDRINRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-11-10-15-6-8-16(9-7-15)14(18)12-13-4-2-1-3-5-13/h4,17H,1-3,5-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone has a molecular weight of 252.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 63565178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).