4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine

C18H34FN — CID 91189069

IUPAC4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine
SMILESC=CCC(C)(F)CCCCCC1(CCC)CCNCC1
InChIInChI=1S/C18H34FN/c1-4-9-17(3,19)11-7-6-8-12-18(10-5-2)13-15-20-16-14-18/h4,20H,1,5-16H2,2-3H3
InChIKeyDYNYFQQBLOXSSK-UHFFFAOYSA-N
MW283.47 g/mol
LogP5.41
Rot. Bonds10

About 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine

4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine (PubChem CID 91189069) has the molecular formula C18H34FN and a molecular weight of 283.47 g/mol. Its IUPAC name is 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine.

Molecular Properties

Compound Name4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine
PubChem CID91189069
Molecular FormulaC18H34FN
Molecular Weight283.47 g/mol
Exact Mass283.27
IUPAC Name4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine
SMILESC=CCC(C)(F)CCCCCC1(CCC)CCNCC1
InChIInChI=1S/C18H34FN/c1-4-9-17(3,19)11-7-6-8-12-18(10-5-2)13-15-20-16-14-18/h4,20H,1,5-16H2,2-3H3
InChIKeyDYNYFQQBLOXSSK-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.47
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine?
The IUPAC name of 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine (CID 91189069) is 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine.
What is the SMILES notation for 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine?
The canonical SMILES for 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine is C=CCC(C)(F)CCCCCC1(CCC)CCNCC1.
What is the InChIKey of 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine?
The InChIKey is DYNYFQQBLOXSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34FN/c1-4-9-17(3,19)11-7-6-8-12-18(10-5-2)13-15-20-16-14-18/h4,20H,1,5-16H2,2-3H3.
What are the key properties of 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine?
4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine has a molecular weight of 283.47 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-6-methylnon-8-enyl)-4-propylpiperidine is sourced from PubChem (CID 91189069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).