1-oct-1-en-3-ylpiperidin-4-one

C13H23NO — CID 70617366

IUPAC1-oct-1-en-3-ylpiperidin-4-one
SMILESC=CC(CCCCC)N1CCC(=O)CC1
InChIInChI=1S/C13H23NO/c1-3-5-6-7-12(4-2)14-10-8-13(15)9-11-14/h4,12H,2-3,5-11H2,1H3
InChIKeyBOWVMGNPASPGBH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.79
Rot. Bonds6

About 1-oct-1-en-3-ylpiperidin-4-one

1-oct-1-en-3-ylpiperidin-4-one (PubChem CID 70617366) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-oct-1-en-3-ylpiperidin-4-one.

Molecular Properties

Compound Name1-oct-1-en-3-ylpiperidin-4-one
PubChem CID70617366
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-oct-1-en-3-ylpiperidin-4-one
SMILESC=CC(CCCCC)N1CCC(=O)CC1
InChIInChI=1S/C13H23NO/c1-3-5-6-7-12(4-2)14-10-8-13(15)9-11-14/h4,12H,2-3,5-11H2,1H3
InChIKeyBOWVMGNPASPGBH-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oct-1-en-3-ylpiperidin-4-one?
The IUPAC name of 1-oct-1-en-3-ylpiperidin-4-one (CID 70617366) is 1-oct-1-en-3-ylpiperidin-4-one.
What is the SMILES notation for 1-oct-1-en-3-ylpiperidin-4-one?
The canonical SMILES for 1-oct-1-en-3-ylpiperidin-4-one is C=CC(CCCCC)N1CCC(=O)CC1.
What is the InChIKey of 1-oct-1-en-3-ylpiperidin-4-one?
The InChIKey is BOWVMGNPASPGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-6-7-12(4-2)14-10-8-13(15)9-11-14/h4,12H,2-3,5-11H2,1H3.
What are the key properties of 1-oct-1-en-3-ylpiperidin-4-one?
1-oct-1-en-3-ylpiperidin-4-one has a molecular weight of 209.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-1-en-3-ylpiperidin-4-one is sourced from PubChem (CID 70617366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).