2-(4-fluoro-2-methylcyclohexyl)piperidine

C12H22FN — CID 89088611

IUPAC2-(4-fluoro-2-methylcyclohexyl)piperidine
SMILESCC1CC(F)CCC1C1CCCCN1
InChIInChI=1S/C12H22FN/c1-9-8-10(13)5-6-11(9)12-4-2-3-7-14-12/h9-12,14H,2-8H2,1H3
InChIKeyYKFIIGJRXLYJIT-UHFFFAOYSA-N
MW199.31 g/mol
LogP2.90
Rot. Bonds1

About 2-(4-fluoro-2-methylcyclohexyl)piperidine

2-(4-fluoro-2-methylcyclohexyl)piperidine (PubChem CID 89088611) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylcyclohexyl)piperidine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylcyclohexyl)piperidine
PubChem CID89088611
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name2-(4-fluoro-2-methylcyclohexyl)piperidine
SMILESCC1CC(F)CCC1C1CCCCN1
InChIInChI=1S/C12H22FN/c1-9-8-10(13)5-6-11(9)12-4-2-3-7-14-12/h9-12,14H,2-8H2,1H3
InChIKeyYKFIIGJRXLYJIT-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylcyclohexyl)piperidine?
The IUPAC name of 2-(4-fluoro-2-methylcyclohexyl)piperidine (CID 89088611) is 2-(4-fluoro-2-methylcyclohexyl)piperidine.
What is the SMILES notation for 2-(4-fluoro-2-methylcyclohexyl)piperidine?
The canonical SMILES for 2-(4-fluoro-2-methylcyclohexyl)piperidine is CC1CC(F)CCC1C1CCCCN1.
What is the InChIKey of 2-(4-fluoro-2-methylcyclohexyl)piperidine?
The InChIKey is YKFIIGJRXLYJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-9-8-10(13)5-6-11(9)12-4-2-3-7-14-12/h9-12,14H,2-8H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylcyclohexyl)piperidine?
2-(4-fluoro-2-methylcyclohexyl)piperidine has a molecular weight of 199.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylcyclohexyl)piperidine is sourced from PubChem (CID 89088611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).