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

C14H23NO2 — CID 55212759

IUPAC2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCCC1CO
InChIInChI=1S/C14H23NO2/c16-11-13-8-4-5-9-15(13)14(17)10-12-6-2-1-3-7-12/h6,13,16H,1-5,7-11H2
InChIKeyBUQIOTISNRLMTR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.25
Rot. Bonds3

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

2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 55212759) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID55212759
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCCC1CO
InChIInChI=1S/C14H23NO2/c16-11-13-8-4-5-9-15(13)14(17)10-12-6-2-1-3-7-12/h6,13,16H,1-5,7-11H2
InChIKeyBUQIOTISNRLMTR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-[(2R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-2-yl]acetic acid
CID 164634275
(6S,9aS)-6-Hydroxymethyl-8-methyl-1,2,3,6,9,9a-hexahydroquinolizin-4(4H)-one
CID 168329245
(6E,10E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one
CID 21297994
1-[2-(Hydroxymethyl)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-one
CID 54186928
(3S,8aS)-3-(hydroxymethyl)-2,8a-dimethyl-4,6,7,8-tetrahydro-3H-isoquinolin-1-one
CID 10822305
Cyclohex-3-en-1-yl-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421245
2-Cyclopent-2-en-1-yl-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421323
N-butyl-2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)acetamide
CID 55212761
2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 55212955
2-(cyclohexen-1-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55212956
1-[2-(Cyclohexen-1-yl)acetyl]piperidine-2-carboxylic acid
CID 55213931
2-(Cyclohexen-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 63562696

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 55212759) is 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCCCC1CO.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is BUQIOTISNRLMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-11-13-8-4-5-9-15(13)14(17)10-12-6-2-1-3-7-12/h6,13,16H,1-5,7-11H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 237.34 g/mol, XLogP of 2.25, 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-[2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55212759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).