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

C14H23NO2 — CID 114680186

IUPAC2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)CC2=CCCCC2)CCC1O
InChIInChI=1S/C14H23NO2/c1-11-10-15(8-7-13(11)16)14(17)9-12-5-3-2-4-6-12/h5,11,13,16H,2-4,6-10H2,1H3
InChIKeyYDAXNFDOGRYREX-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.11
Rot. Bonds2

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

2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 114680186) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID114680186
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)CC2=CCCCC2)CCC1O
InChIInChI=1S/C14H23NO2/c1-11-10-15(8-7-13(11)16)14(17)9-12-5-3-2-4-6-12/h5,11,13,16H,2-4,6-10H2,1H3
InChIKeyYDAXNFDOGRYREX-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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Related Compounds

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)-3-methyl-4-oxobutyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 67110374
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
[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 169232113
1-(4-Hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one
CID 169232114
[3-(5-Cyclohexa-1,5-dien-1-ylpentyl)cyclobutyl]-(4-hydroxypiperidin-1-yl)methanone
CID 169232128
[2-(5-Cyclohexa-1,5-dien-1-ylpentyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 169232138

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 114680186) is 2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is CC1CN(C(=O)CC2=CCCCC2)CCC1O.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is YDAXNFDOGRYREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-10-15(8-7-13(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-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
2-(cyclohexen-1-yl)-1-(4-hydroxy-3-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-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114680186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).