4,4-difluoropiperidine;ethene;4-methylmorpholine

C12H24F2N2O — CID 171827384

IUPAC4,4-difluoropiperidine;ethene;4-methylmorpholine
SMILESC=C.CN1CCOCC1.FC1(F)CCNCC1
InChIInChI=1S/C5H9F2N.C5H11NO.C2H4/c6-5(7)1-3-8-4-2-5;1-6-2-4-7-5-3-6;1-2/h8H,1-4H2;2-5H2,1H3;1-2H2
InChIKeyGGYOBNZIVOZLBW-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.76
Rot. Bonds

About 4,4-difluoropiperidine;ethene;4-methylmorpholine

4,4-difluoropiperidine;ethene;4-methylmorpholine (PubChem CID 171827384) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is 4,4-difluoropiperidine;ethene;4-methylmorpholine.

Molecular Properties

Compound Name4,4-difluoropiperidine;ethene;4-methylmorpholine
PubChem CID171827384
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC Name4,4-difluoropiperidine;ethene;4-methylmorpholine
SMILESC=C.CN1CCOCC1.FC1(F)CCNCC1
InChIInChI=1S/C5H9F2N.C5H11NO.C2H4/c6-5(7)1-3-8-4-2-5;1-6-2-4-7-5-3-6;1-2/h8H,1-4H2;2-5H2,1H3;1-2H2
InChIKeyGGYOBNZIVOZLBW-UHFFFAOYSA-N
XLogP1.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4,4-Difluoropiperidin-1-yl)ethyl]morpholine;hydrochloride
CID 23079677
2-[2-(4,4-Difluoropiperidin-1-yl)ethyl]morpholine
CID 23079678
(2S,6R)-2-[(4-fluoropiperidin-1-yl)methyl]-6-methylmorpholine
CID 141468183
(2S,6R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-6-methylmorpholine
CID 141468194
3,3-Difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine
CID 145216920
4,4-Difluoro-1-methylpiperidine;ethane;ethene;4-methylmorpholine
CID 171827373
4,4-Difluoro-1-(2-piperidin-4-yloxyethyl)piperidine
CID 172213306
N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769528
N-(1-morpholin-4-ylpropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43779516
1-(2,2-difluoroethyl)-N-(3-morpholin-4-ylbutan-2-yl)piperidin-4-amine
CID 75427970
N-[(4-methylmorpholin-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 79082139
N-[(4-ethylmorpholin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 79177181

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropiperidine;ethene;4-methylmorpholine?
The IUPAC name of 4,4-difluoropiperidine;ethene;4-methylmorpholine (CID 171827384) is 4,4-difluoropiperidine;ethene;4-methylmorpholine.
What is the SMILES notation for 4,4-difluoropiperidine;ethene;4-methylmorpholine?
The canonical SMILES for 4,4-difluoropiperidine;ethene;4-methylmorpholine is C=C.CN1CCOCC1.FC1(F)CCNCC1.
What is the InChIKey of 4,4-difluoropiperidine;ethene;4-methylmorpholine?
The InChIKey is GGYOBNZIVOZLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C5H11NO.C2H4/c6-5(7)1-3-8-4-2-5;1-6-2-4-7-5-3-6;1-2/h8H,1-4H2;2-5H2,1H3;1-2H2.
What are the key properties of 4,4-difluoropiperidine;ethene;4-methylmorpholine?
4,4-difluoropiperidine;ethene;4-methylmorpholine has a molecular weight of 250.33 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropiperidine;ethene;4-methylmorpholine is sourced from PubChem (CID 171827384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).