4-piperidin-1-ylcyclonon-5-en-1-one

C14H23NO — CID 175904858

IUPAC4-piperidin-1-ylcyclonon-5-en-1-one
SMILESO=C1CCCC=CC(N2CCCCC2)CC1
InChIInChI=1S/C14H23NO/c16-14-8-4-1-3-7-13(9-10-14)15-11-5-2-6-12-15/h3,7,13H,1-2,4-6,8-12H2
InChIKeyIHCHAXBMFFQHFE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds1

About 4-piperidin-1-ylcyclonon-5-en-1-one

4-piperidin-1-ylcyclonon-5-en-1-one (PubChem CID 175904858) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-piperidin-1-ylcyclonon-5-en-1-one.

Molecular Properties

Compound Name4-piperidin-1-ylcyclonon-5-en-1-one
PubChem CID175904858
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-piperidin-1-ylcyclonon-5-en-1-one
SMILESO=C1CCCC=CC(N2CCCCC2)CC1
InChIInChI=1S/C14H23NO/c16-14-8-4-1-3-7-13(9-10-14)15-11-5-2-6-12-15/h3,7,13H,1-2,4-6,8-12H2
InChIKeyIHCHAXBMFFQHFE-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.93
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 4-piperidin-1-ylcyclonon-5-en-1-one?
The IUPAC name of 4-piperidin-1-ylcyclonon-5-en-1-one (CID 175904858) is 4-piperidin-1-ylcyclonon-5-en-1-one.
What is the SMILES notation for 4-piperidin-1-ylcyclonon-5-en-1-one?
The canonical SMILES for 4-piperidin-1-ylcyclonon-5-en-1-one is O=C1CCCC=CC(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-ylcyclonon-5-en-1-one?
The InChIKey is IHCHAXBMFFQHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-14-8-4-1-3-7-13(9-10-14)15-11-5-2-6-12-15/h3,7,13H,1-2,4-6,8-12H2.
What are the key properties of 4-piperidin-1-ylcyclonon-5-en-1-one?
4-piperidin-1-ylcyclonon-5-en-1-one has a molecular weight of 221.34 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylcyclonon-5-en-1-one is sourced from PubChem (CID 175904858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).