4,4-difluoro-1-(4-methylcyclohexyl)piperidine

C12H21F2N — CID 58395271

IUPAC4,4-difluoro-1-(4-methylcyclohexyl)piperidine
SMILESCC1CCC(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H21F2N/c1-10-2-4-11(5-3-10)15-8-6-12(13,14)7-9-15/h10-11H,2-9H2,1H3
InChIKeyIJPCIQJOAHXWLR-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.30
Rot. Bonds1

About 4,4-difluoro-1-(4-methylcyclohexyl)piperidine

4,4-difluoro-1-(4-methylcyclohexyl)piperidine (PubChem CID 58395271) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 4,4-difluoro-1-(4-methylcyclohexyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(4-methylcyclohexyl)piperidine
PubChem CID58395271
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name4,4-difluoro-1-(4-methylcyclohexyl)piperidine
SMILESCC1CCC(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H21F2N/c1-10-2-4-11(5-3-10)15-8-6-12(13,14)7-9-15/h10-11H,2-9H2,1H3
InChIKeyIJPCIQJOAHXWLR-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4-methylcyclohexyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(4-methylcyclohexyl)piperidine (CID 58395271) is 4,4-difluoro-1-(4-methylcyclohexyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(4-methylcyclohexyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(4-methylcyclohexyl)piperidine is CC1CCC(N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 4,4-difluoro-1-(4-methylcyclohexyl)piperidine?
The InChIKey is IJPCIQJOAHXWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-10-2-4-11(5-3-10)15-8-6-12(13,14)7-9-15/h10-11H,2-9H2,1H3.
What are the key properties of 4,4-difluoro-1-(4-methylcyclohexyl)piperidine?
4,4-difluoro-1-(4-methylcyclohexyl)piperidine has a molecular weight of 217.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4-methylcyclohexyl)piperidine is sourced from PubChem (CID 58395271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).