2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

C14H23NO2 — CID 103900309

IUPAC2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2=CCCCC2)CC1O
InChIInChI=1S/C14H23NO2/c1-11-7-8-15(10-13(11)16)14(17)9-12-5-3-2-4-6-12/h5,11,13,16H,2-4,6-10H2,1H3
InChIKeyKXXSWFYWMFESOR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.11
Rot. Bonds2

About 2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone

2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 103900309) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID103900309
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CC2=CCCCC2)CC1O
InChIInChI=1S/C14H23NO2/c1-11-7-8-15(10-13(11)16)14(17)9-12-5-3-2-4-6-12/h5,11,13,16H,2-4,6-10H2,1H3
InChIKeyKXXSWFYWMFESOR-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 103900309) is 2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CC2=CCCCC2)CC1O.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is KXXSWFYWMFESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-7-8-15(10-13(11)16)14(17)9-12-5-3-2-4-6-12/h5,11,13,16H,2-4,6-10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone?
2-(cyclohexen-1-yl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 237.34 g/mol, XLogP of 2.11, 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-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103900309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).