4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine

C16H27F3N2O — CID 177192241

IUPAC4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine
SMILESCC.CN.COc1cc(F)cc(C)c1N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F3NO.C2H6.CH5N/c1-9-7-10(14)8-11(18-2)12(9)17-5-3-13(15,16)4-6-17;2*1-2/h7-8H,3-6H2,1-2H3;1-2H3;2H2,1H3
InChIKeyCCCNIWJMKDUTJH-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.98
Rot. Bonds2

About 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine

4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine (PubChem CID 177192241) has the molecular formula C16H27F3N2O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine.

Molecular Properties

Compound Name4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine
PubChem CID177192241
Molecular FormulaC16H27F3N2O
Molecular Weight320.40 g/mol
Exact Mass320.21
IUPAC Name4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine
SMILESCC.CN.COc1cc(F)cc(C)c1N1CCC(F)(F)CC1
InChIInChI=1S/C13H16F3NO.C2H6.CH5N/c1-9-7-10(14)8-11(18-2)12(9)17-5-3-13(15,16)4-6-17;2*1-2/h7-8H,3-6H2,1-2H3;1-2H3;2H2,1H3
InChIKeyCCCNIWJMKDUTJH-UHFFFAOYSA-N
XLogP3.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine?
The IUPAC name of 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine (CID 177192241) is 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine.
What is the SMILES notation for 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine?
The canonical SMILES for 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine is CC.CN.COc1cc(F)cc(C)c1N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine?
The InChIKey is CCCNIWJMKDUTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO.C2H6.CH5N/c1-9-7-10(14)8-11(18-2)12(9)17-5-3-13(15,16)4-6-17;2*1-2/h7-8H,3-6H2,1-2H3;1-2H3;2H2,1H3.
What are the key properties of 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine?
4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine has a molecular weight of 320.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4-fluoro-2-methoxy-6-methylphenyl)piperidine;ethane;methanamine is sourced from PubChem (CID 177192241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).