3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine

C13H22FN — CID 106655032

IUPAC3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(C1=CCCCC1)C1CCCNC1
InChIInChI=1S/C13H22FN/c1-13(14,11-6-3-2-4-7-11)12-8-5-9-15-10-12/h6,12,15H,2-5,7-10H2,1H3
InChIKeyLSTKZLTVHQPZRQ-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.21
Rot. Bonds2

About 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine

3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine (PubChem CID 106655032) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine.

Molecular Properties

Compound Name3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine
PubChem CID106655032
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine
SMILESCC(F)(C1=CCCCC1)C1CCCNC1
InChIInChI=1S/C13H22FN/c1-13(14,11-6-3-2-4-7-11)12-8-5-9-15-10-12/h6,12,15H,2-5,7-10H2,1H3
InChIKeyLSTKZLTVHQPZRQ-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.21
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 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine?
The IUPAC name of 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine (CID 106655032) is 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine.
What is the SMILES notation for 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine?
The canonical SMILES for 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine is CC(F)(C1=CCCCC1)C1CCCNC1.
What is the InChIKey of 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine?
The InChIKey is LSTKZLTVHQPZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c1-13(14,11-6-3-2-4-7-11)12-8-5-9-15-10-12/h6,12,15H,2-5,7-10H2,1H3.
What are the key properties of 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine?
3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine has a molecular weight of 211.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexen-1-yl)-1-fluoroethyl]piperidine is sourced from PubChem (CID 106655032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).