1-(3-ethylhex-5-enyl)piperidin-4-one

C13H23NO — CID 69353924

IUPAC1-(3-ethylhex-5-enyl)piperidin-4-one
SMILESC=CCC(CC)CCN1CCC(=O)CC1
InChIInChI=1S/C13H23NO/c1-3-5-12(4-2)6-9-14-10-7-13(15)8-11-14/h3,12H,1,4-11H2,2H3
InChIKeyCCBOSTXZEVLWPE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds6

About 1-(3-ethylhex-5-enyl)piperidin-4-one

1-(3-ethylhex-5-enyl)piperidin-4-one (PubChem CID 69353924) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(3-ethylhex-5-enyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-ethylhex-5-enyl)piperidin-4-one
PubChem CID69353924
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(3-ethylhex-5-enyl)piperidin-4-one
SMILESC=CCC(CC)CCN1CCC(=O)CC1
InChIInChI=1S/C13H23NO/c1-3-5-12(4-2)6-9-14-10-7-13(15)8-11-14/h3,12H,1,4-11H2,2H3
InChIKeyCCBOSTXZEVLWPE-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
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 1-(3-ethylhex-5-enyl)piperidin-4-one?
The IUPAC name of 1-(3-ethylhex-5-enyl)piperidin-4-one (CID 69353924) is 1-(3-ethylhex-5-enyl)piperidin-4-one.
What is the SMILES notation for 1-(3-ethylhex-5-enyl)piperidin-4-one?
The canonical SMILES for 1-(3-ethylhex-5-enyl)piperidin-4-one is C=CCC(CC)CCN1CCC(=O)CC1.
What is the InChIKey of 1-(3-ethylhex-5-enyl)piperidin-4-one?
The InChIKey is CCBOSTXZEVLWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-12(4-2)6-9-14-10-7-13(15)8-11-14/h3,12H,1,4-11H2,2H3.
What are the key properties of 1-(3-ethylhex-5-enyl)piperidin-4-one?
1-(3-ethylhex-5-enyl)piperidin-4-one has a molecular weight of 209.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylhex-5-enyl)piperidin-4-one is sourced from PubChem (CID 69353924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).