2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine

C13H23F2N — CID 67963041

IUPAC2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine
SMILESCC1CCC(C2CC(F)C(C)C(F)C2)NC1
InChIInChI=1S/C13H23F2N/c1-8-3-4-13(16-7-8)10-5-11(14)9(2)12(15)6-10/h8-13,16H,3-7H2,1-2H3
InChIKeyJLVZWLLTDUSZNC-UHFFFAOYSA-N
MW231.33 g/mol
LogP3.10
Rot. Bonds1

About 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine

2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine (PubChem CID 67963041) has the molecular formula C13H23F2N and a molecular weight of 231.33 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine
PubChem CID67963041
Molecular FormulaC13H23F2N
Molecular Weight231.33 g/mol
Exact Mass231.18
IUPAC Name2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine
SMILESCC1CCC(C2CC(F)C(C)C(F)C2)NC1
InChIInChI=1S/C13H23F2N/c1-8-3-4-13(16-7-8)10-5-11(14)9(2)12(15)6-10/h8-13,16H,3-7H2,1-2H3
InChIKeyJLVZWLLTDUSZNC-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine?
The IUPAC name of 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine (CID 67963041) is 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine.
What is the SMILES notation for 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine?
The canonical SMILES for 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine is CC1CCC(C2CC(F)C(C)C(F)C2)NC1.
What is the InChIKey of 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine?
The InChIKey is JLVZWLLTDUSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N/c1-8-3-4-13(16-7-8)10-5-11(14)9(2)12(15)6-10/h8-13,16H,3-7H2,1-2H3.
What are the key properties of 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine?
2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine has a molecular weight of 231.33 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylcyclohexyl)-5-methylpiperidine is sourced from PubChem (CID 67963041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).