4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine

C15H32F2N2O — CID 171827373

IUPAC4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine
SMILESC=C.CC.CN1CCC(F)(F)CC1.CN1CCOCC1
InChIInChI=1S/C6H11F2N.C5H11NO.C2H6.C2H4/c1-9-4-2-6(7,8)3-5-9;1-6-2-4-7-5-3-6;2*1-2/h2-5H2,1H3;2-5H2,1H3;1-2H3;1-2H2
InChIKeyJVAAQHBMGSKODG-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.12
Rot. Bonds

About 4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine

4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine (PubChem CID 171827373) has the molecular formula C15H32F2N2O and a molecular weight of 294.43 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine.

Molecular Properties

Compound Name4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine
PubChem CID171827373
Molecular FormulaC15H32F2N2O
Molecular Weight294.43 g/mol
Exact Mass294.25
IUPAC Name4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine
SMILESC=C.CC.CN1CCC(F)(F)CC1.CN1CCOCC1
InChIInChI=1S/C6H11F2N.C5H11NO.C2H6.C2H4/c1-9-4-2-6(7,8)3-5-9;1-6-2-4-7-5-3-6;2*1-2/h2-5H2,1H3;2-5H2,1H3;1-2H3;1-2H2
InChIKeyJVAAQHBMGSKODG-UHFFFAOYSA-N
XLogP3.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-Difluoro-1-methylpiperidine;4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 144481106
ethane;4-methylmorpholine;1-methylpiperidine;O-(2,2,2-trifluoroethyl)hydroxylamine
CID 144580578
4,4-Difluoro-1-methylpiperidine;ethane;2-ethyl-4-methylmorpholine
CID 144926144
4,4-Difluoro-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine
CID 169266269
4,4-Difluoropiperidine;ethene;4-methylmorpholine
CID 171827384
4,4-Difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine
CID 177030560
4-[2-(3,3-Difluoropiperidin-1-yl)ethyl]morpholine
CID 117007662
4-[2-(4,4-Difluoropiperidin-1-yl)ethyl]morpholine
CID 117007742
Ethane;4-ethylmorpholine;1-ethylpiperidine
CID 144134894
Ethane;4-methylmorpholine;1-methylpiperidine
CID 145109146
Ethane;4-fluoro-1-pentylpiperidine;4-propylmorpholine
CID 145307293
4-Fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine?
The IUPAC name of 4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine (CID 171827373) is 4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine.
What is the SMILES notation for 4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine?
The canonical SMILES for 4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine is C=C.CC.CN1CCC(F)(F)CC1.CN1CCOCC1.
What is the InChIKey of 4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine?
The InChIKey is JVAAQHBMGSKODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.C5H11NO.C2H6.C2H4/c1-9-4-2-6(7,8)3-5-9;1-6-2-4-7-5-3-6;2*1-2/h2-5H2,1H3;2-5H2,1H3;1-2H3;1-2H2.
What are the key properties of 4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine?
4,4-difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine has a molecular weight of 294.43 g/mol, XLogP of 3.12, 0 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;ethene;4-methylmorpholine is sourced from PubChem (CID 171827373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).