2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C14H23NO2 — CID 63562696

IUPAC2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCC(CO)CC1
InChIInChI=1S/C14H23NO2/c16-11-13-6-8-15(9-7-13)14(17)10-12-4-2-1-3-5-12/h4,13,16H,1-3,5-11H2
InChIKeyNVBNUCUBZXQGMC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.11
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 63562696) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID63562696
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCC(CO)CC1
InChIInChI=1S/C14H23NO2/c16-11-13-6-8-15(9-7-13)14(17)10-12-4-2-1-3-5-12/h4,13,16H,1-3,5-11H2
InChIKeyNVBNUCUBZXQGMC-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.11
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-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 63562696) is 2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCC(CO)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is NVBNUCUBZXQGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-11-13-6-8-15(9-7-13)14(17)10-12-4-2-1-3-5-12/h4,13,16H,1-3,5-11H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 237.34 g/mol, XLogP of 2.11, 3 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-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 63562696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).