2-cyclohexyl-3-fluoro-2-methylpiperidine

C12H22FN — CID 115021815

IUPAC2-cyclohexyl-3-fluoro-2-methylpiperidine
SMILESCC1(C2CCCCC2)NCCCC1F
InChIInChI=1S/C12H22FN/c1-12(10-6-3-2-4-7-10)11(13)8-5-9-14-12/h10-11,14H,2-9H2,1H3
InChIKeyUIBPUMVTQFMDDL-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.05
Rot. Bonds1

About 2-cyclohexyl-3-fluoro-2-methylpiperidine

2-cyclohexyl-3-fluoro-2-methylpiperidine (PubChem CID 115021815) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 2-cyclohexyl-3-fluoro-2-methylpiperidine.

Molecular Properties

Compound Name2-cyclohexyl-3-fluoro-2-methylpiperidine
PubChem CID115021815
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name2-cyclohexyl-3-fluoro-2-methylpiperidine
SMILESCC1(C2CCCCC2)NCCCC1F
InChIInChI=1S/C12H22FN/c1-12(10-6-3-2-4-7-10)11(13)8-5-9-14-12/h10-11,14H,2-9H2,1H3
InChIKeyUIBPUMVTQFMDDL-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-fluoro-2-methylpiperidine?
The IUPAC name of 2-cyclohexyl-3-fluoro-2-methylpiperidine (CID 115021815) is 2-cyclohexyl-3-fluoro-2-methylpiperidine.
What is the SMILES notation for 2-cyclohexyl-3-fluoro-2-methylpiperidine?
The canonical SMILES for 2-cyclohexyl-3-fluoro-2-methylpiperidine is CC1(C2CCCCC2)NCCCC1F.
What is the InChIKey of 2-cyclohexyl-3-fluoro-2-methylpiperidine?
The InChIKey is UIBPUMVTQFMDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-12(10-6-3-2-4-7-10)11(13)8-5-9-14-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 2-cyclohexyl-3-fluoro-2-methylpiperidine?
2-cyclohexyl-3-fluoro-2-methylpiperidine has a molecular weight of 199.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-fluoro-2-methylpiperidine is sourced from PubChem (CID 115021815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).