4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine

C17H38F2N2O — CID 144926144

IUPAC4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine
SMILESCC.CC.CCC1CN(C)CCO1.CN1CCC(F)(F)CC1
InChIInChI=1S/C7H15NO.C6H11F2N.2C2H6/c1-3-7-6-8(2)4-5-9-7;1-9-4-2-6(7,8)3-5-9;2*1-2/h7H,3-6H2,1-2H3;2-5H2,1H3;2*1-2H3
InChIKeyYAUBTVNMZWQSIG-UHFFFAOYSA-N
MW324.50 g/mol
LogP4.13
Rot. Bonds1

About 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine

4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine (PubChem CID 144926144) has the molecular formula C17H38F2N2O and a molecular weight of 324.50 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine.

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine
PubChem CID144926144
Molecular FormulaC17H38F2N2O
Molecular Weight324.50 g/mol
Exact Mass324.30
IUPAC Name4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine
SMILESCC.CC.CCC1CN(C)CCO1.CN1CCC(F)(F)CC1
InChIInChI=1S/C7H15NO.C6H11F2N.2C2H6/c1-3-7-6-8(2)4-5-9-7;1-9-4-2-6(7,8)3-5-9;2*1-2/h7H,3-6H2,1-2H3;2-5H2,1H3;2*1-2H3
InChIKeyYAUBTVNMZWQSIG-UHFFFAOYSA-N
XLogP4.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine?
The IUPAC name of 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine (CID 144926144) is 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine.
What is the SMILES notation for 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine?
The canonical SMILES for 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine is CC.CC.CCC1CN(C)CCO1.CN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine?
The InChIKey is YAUBTVNMZWQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H11F2N.2C2H6/c1-3-7-6-8(2)4-5-9-7;1-9-4-2-6(7,8)3-5-9;2*1-2/h7H,3-6H2,1-2H3;2-5H2,1H3;2*1-2H3.
What are the key properties of 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine?
4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine has a molecular weight of 324.50 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine is sourced from PubChem (CID 144926144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).