1-piperidin-3-yloct-7-en-1-one

C13H23NO — CID 107010785

IUPAC1-piperidin-3-yloct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CCCNC1
InChIInChI=1S/C13H23NO/c1-2-3-4-5-6-9-13(15)12-8-7-10-14-11-12/h2,12,14H,1,3-11H2
InChIKeyNKDZFOANHLWBOE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.69
Rot. Bonds7

About 1-piperidin-3-yloct-7-en-1-one

1-piperidin-3-yloct-7-en-1-one (PubChem CID 107010785) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-piperidin-3-yloct-7-en-1-one.

Molecular Properties

Compound Name1-piperidin-3-yloct-7-en-1-one
PubChem CID107010785
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-piperidin-3-yloct-7-en-1-one
SMILESC=CCCCCCC(=O)C1CCCNC1
InChIInChI=1S/C13H23NO/c1-2-3-4-5-6-9-13(15)12-8-7-10-14-11-12/h2,12,14H,1,3-11H2
InChIKeyNKDZFOANHLWBOE-UHFFFAOYSA-N
XLogP2.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
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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Related Compounds

1-piperidin-3-ylnonan-1-one
CID 116547942
4-hexadec-15-enoylazepan-2-one
CID 67914860
4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
1-pyrrolidin-3-ylnon-8-en-2-one
CID 107010907
(3S)-3-undec-10-enoylpiperidin-2-one
CID 66893406
1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
CID 171937877
1-(azepan-2-yl)oct-7-en-1-one
CID 107010905
(3S)-3-hept-6-enoxypiperidine
CID 107007733
1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one
CID 171941663
1-(oxolan-3-yl)oct-7-en-1-one
CID 107008260
1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)non-8-en-1-one
CID 171945402
N-oct-7-ynylidenepiperidine-3-carboxamide
CID 172560611

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yloct-7-en-1-one?
The IUPAC name of 1-piperidin-3-yloct-7-en-1-one (CID 107010785) is 1-piperidin-3-yloct-7-en-1-one.
What is the SMILES notation for 1-piperidin-3-yloct-7-en-1-one?
The canonical SMILES for 1-piperidin-3-yloct-7-en-1-one is C=CCCCCCC(=O)C1CCCNC1.
What is the InChIKey of 1-piperidin-3-yloct-7-en-1-one?
The InChIKey is NKDZFOANHLWBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-4-5-6-9-13(15)12-8-7-10-14-11-12/h2,12,14H,1,3-11H2.
What are the key properties of 1-piperidin-3-yloct-7-en-1-one?
1-piperidin-3-yloct-7-en-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yloct-7-en-1-one is sourced from PubChem (CID 107010785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).