1-ethenyl-3-octylpiperidin-2-one

C15H27NO — CID 134495581

IUPAC1-ethenyl-3-octylpiperidin-2-one
SMILESC=CN1CCCC(CCCCCCCC)C1=O
InChIInChI=1S/C15H27NO/c1-3-5-6-7-8-9-11-14-12-10-13-16(4-2)15(14)17/h4,14H,2-3,5-13H2,1H3
InChIKeyUNQIMCQQYQTZAE-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.12
Rot. Bonds8

About 1-ethenyl-3-octylpiperidin-2-one

1-ethenyl-3-octylpiperidin-2-one (PubChem CID 134495581) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-ethenyl-3-octylpiperidin-2-one.

Molecular Properties

Compound Name1-ethenyl-3-octylpiperidin-2-one
PubChem CID134495581
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-ethenyl-3-octylpiperidin-2-one
SMILESC=CN1CCCC(CCCCCCCC)C1=O
InChIInChI=1S/C15H27NO/c1-3-5-6-7-8-9-11-14-12-10-13-16(4-2)15(14)17/h4,14H,2-3,5-13H2,1H3
InChIKeyUNQIMCQQYQTZAE-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-octylpiperidin-2-one?
The IUPAC name of 1-ethenyl-3-octylpiperidin-2-one (CID 134495581) is 1-ethenyl-3-octylpiperidin-2-one.
What is the SMILES notation for 1-ethenyl-3-octylpiperidin-2-one?
The canonical SMILES for 1-ethenyl-3-octylpiperidin-2-one is C=CN1CCCC(CCCCCCCC)C1=O.
What is the InChIKey of 1-ethenyl-3-octylpiperidin-2-one?
The InChIKey is UNQIMCQQYQTZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-6-7-8-9-11-14-12-10-13-16(4-2)15(14)17/h4,14H,2-3,5-13H2,1H3.
What are the key properties of 1-ethenyl-3-octylpiperidin-2-one?
1-ethenyl-3-octylpiperidin-2-one has a molecular weight of 237.39 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-octylpiperidin-2-one is sourced from PubChem (CID 134495581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).