3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine

C17H30FN — CID 118447982

IUPAC3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine
SMILESCC1CC(C2NCCCC2C2CCCC2)CCC1F
InChIInChI=1S/C17H30FN/c1-12-11-14(8-9-16(12)18)17-15(7-4-10-19-17)13-5-2-3-6-13/h12-17,19H,2-11H2,1H3
InChIKeyYFOANHOGBYZHKX-UHFFFAOYSA-N
MW267.43 g/mol
LogP4.32
Rot. Bonds2

About 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine

3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine (PubChem CID 118447982) has the molecular formula C17H30FN and a molecular weight of 267.43 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine
PubChem CID118447982
Molecular FormulaC17H30FN
Molecular Weight267.43 g/mol
Exact Mass267.24
IUPAC Name3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine
SMILESCC1CC(C2NCCCC2C2CCCC2)CCC1F
InChIInChI=1S/C17H30FN/c1-12-11-14(8-9-16(12)18)17-15(7-4-10-19-17)13-5-2-3-6-13/h12-17,19H,2-11H2,1H3
InChIKeyYFOANHOGBYZHKX-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine?
The IUPAC name of 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine (CID 118447982) is 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine.
What is the SMILES notation for 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine?
The canonical SMILES for 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine is CC1CC(C2NCCCC2C2CCCC2)CCC1F.
What is the InChIKey of 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine?
The InChIKey is YFOANHOGBYZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30FN/c1-12-11-14(8-9-16(12)18)17-15(7-4-10-19-17)13-5-2-3-6-13/h12-17,19H,2-11H2,1H3.
What are the key properties of 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine?
3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine has a molecular weight of 267.43 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-fluoro-3-methylcyclohexyl)piperidine is sourced from PubChem (CID 118447982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).