3-(3-ethylcyclohexyl)-3-fluoropiperidine

C13H24FN — CID 112562974

IUPAC3-(3-ethylcyclohexyl)-3-fluoropiperidine
SMILESCCC1CCCC(C2(F)CCCNC2)C1
InChIInChI=1S/C13H24FN/c1-2-11-5-3-6-12(9-11)13(14)7-4-8-15-10-13/h11-12,15H,2-10H2,1H3
InChIKeyQHBIQWJYPGSBCS-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.29
Rot. Bonds2

About 3-(3-ethylcyclohexyl)-3-fluoropiperidine

3-(3-ethylcyclohexyl)-3-fluoropiperidine (PubChem CID 112562974) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-3-fluoropiperidine
PubChem CID112562974
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name3-(3-ethylcyclohexyl)-3-fluoropiperidine
SMILESCCC1CCCC(C2(F)CCCNC2)C1
InChIInChI=1S/C13H24FN/c1-2-11-5-3-6-12(9-11)13(14)7-4-8-15-10-13/h11-12,15H,2-10H2,1H3
InChIKeyQHBIQWJYPGSBCS-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-3-fluoropiperidine?
The IUPAC name of 3-(3-ethylcyclohexyl)-3-fluoropiperidine (CID 112562974) is 3-(3-ethylcyclohexyl)-3-fluoropiperidine.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-3-fluoropiperidine?
The canonical SMILES for 3-(3-ethylcyclohexyl)-3-fluoropiperidine is CCC1CCCC(C2(F)CCCNC2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-3-fluoropiperidine?
The InChIKey is QHBIQWJYPGSBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-2-11-5-3-6-12(9-11)13(14)7-4-8-15-10-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-(3-ethylcyclohexyl)-3-fluoropiperidine?
3-(3-ethylcyclohexyl)-3-fluoropiperidine has a molecular weight of 213.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)-3-fluoropiperidine is sourced from PubChem (CID 112562974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).