4-(cycloocten-1-yl)-4-fluoropiperidine

C13H22FN — CID 106655016

IUPAC4-(cycloocten-1-yl)-4-fluoropiperidine
SMILESFC1(C2=CCCCCCC2)CCNCC1
InChIInChI=1S/C13H22FN/c14-13(8-10-15-11-9-13)12-6-4-2-1-3-5-7-12/h6,15H,1-5,7-11H2
InChIKeyVLIRAZOYKQNIDI-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.36
Rot. Bonds1

About 4-(cycloocten-1-yl)-4-fluoropiperidine

4-(cycloocten-1-yl)-4-fluoropiperidine (PubChem CID 106655016) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 4-(cycloocten-1-yl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-(cycloocten-1-yl)-4-fluoropiperidine
PubChem CID106655016
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name4-(cycloocten-1-yl)-4-fluoropiperidine
SMILESFC1(C2=CCCCCCC2)CCNCC1
InChIInChI=1S/C13H22FN/c14-13(8-10-15-11-9-13)12-6-4-2-1-3-5-7-12/h6,15H,1-5,7-11H2
InChIKeyVLIRAZOYKQNIDI-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(cycloocten-1-yl)-4-fluoropiperidine?
The IUPAC name of 4-(cycloocten-1-yl)-4-fluoropiperidine (CID 106655016) is 4-(cycloocten-1-yl)-4-fluoropiperidine.
What is the SMILES notation for 4-(cycloocten-1-yl)-4-fluoropiperidine?
The canonical SMILES for 4-(cycloocten-1-yl)-4-fluoropiperidine is FC1(C2=CCCCCCC2)CCNCC1.
What is the InChIKey of 4-(cycloocten-1-yl)-4-fluoropiperidine?
The InChIKey is VLIRAZOYKQNIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c14-13(8-10-15-11-9-13)12-6-4-2-1-3-5-7-12/h6,15H,1-5,7-11H2.
What are the key properties of 4-(cycloocten-1-yl)-4-fluoropiperidine?
4-(cycloocten-1-yl)-4-fluoropiperidine has a molecular weight of 211.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloocten-1-yl)-4-fluoropiperidine is sourced from PubChem (CID 106655016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).