4-fluoro-1-octylpiperidine

C13H26FN — CID 130358850

IUPAC4-fluoro-1-octylpiperidine
SMILESCCCCCCCCN1CCC(F)CC1
InChIInChI=1S/C13H26FN/c1-2-3-4-5-6-7-10-15-11-8-13(14)9-12-15/h13H,2-12H2,1H3
InChIKeyAQACVTXOWDWXCK-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.78
Rot. Bonds7

About 4-fluoro-1-octylpiperidine

4-fluoro-1-octylpiperidine (PubChem CID 130358850) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-fluoro-1-octylpiperidine.

Molecular Properties

Compound Name4-fluoro-1-octylpiperidine
PubChem CID130358850
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name4-fluoro-1-octylpiperidine
SMILESCCCCCCCCN1CCC(F)CC1
InChIInChI=1S/C13H26FN/c1-2-3-4-5-6-7-10-15-11-8-13(14)9-12-15/h13H,2-12H2,1H3
InChIKeyAQACVTXOWDWXCK-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.78
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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Related Compounds

1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-octylpiperidin-4-ol
CID 62022103
ethane;1-pentylpiperidin-4-amine
CID 142516102
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682
4-butyl-1-octylpiperidine
CID 171570418
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
1-heptylazetidine
CID 134402356
4-ethyl-1-hexylpiperidine;formonitrile
CID 175874680
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-octylpiperidine?
The IUPAC name of 4-fluoro-1-octylpiperidine (CID 130358850) is 4-fluoro-1-octylpiperidine.
What is the SMILES notation for 4-fluoro-1-octylpiperidine?
The canonical SMILES for 4-fluoro-1-octylpiperidine is CCCCCCCCN1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-octylpiperidine?
The InChIKey is AQACVTXOWDWXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-2-3-4-5-6-7-10-15-11-8-13(14)9-12-15/h13H,2-12H2,1H3.
What are the key properties of 4-fluoro-1-octylpiperidine?
4-fluoro-1-octylpiperidine has a molecular weight of 215.36 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-octylpiperidine is sourced from PubChem (CID 130358850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).