5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane

C14H28F2N2O2 — CID 145497278

IUPAC5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane
SMILESCC.CC.O=C1COCC(CN2CCC(F)(F)CC2)N1
InChIInChI=1S/C10H16F2N2O2.2C2H6/c11-10(12)1-3-14(4-2-10)5-8-6-16-7-9(15)13-8;2*1-2/h8H,1-7H2,(H,13,15);2*1-2H3
InChIKeyPXVIYBYDKUZTOD-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.28
Rot. Bonds2

About 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane

5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane (PubChem CID 145497278) has the molecular formula C14H28F2N2O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane.

Molecular Properties

Compound Name5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane
PubChem CID145497278
Molecular FormulaC14H28F2N2O2
Molecular Weight294.39 g/mol
Exact Mass294.21
IUPAC Name5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane
SMILESCC.CC.O=C1COCC(CN2CCC(F)(F)CC2)N1
InChIInChI=1S/C10H16F2N2O2.2C2H6/c11-10(12)1-3-14(4-2-10)5-8-6-16-7-9(15)13-8;2*1-2/h8H,1-7H2,(H,13,15);2*1-2H3
InChIKeyPXVIYBYDKUZTOD-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane?
The IUPAC name of 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane (CID 145497278) is 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane.
What is the SMILES notation for 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane?
The canonical SMILES for 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane is CC.CC.O=C1COCC(CN2CCC(F)(F)CC2)N1.
What is the InChIKey of 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane?
The InChIKey is PXVIYBYDKUZTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2.2C2H6/c11-10(12)1-3-14(4-2-10)5-8-6-16-7-9(15)13-8;2*1-2/h8H,1-7H2,(H,13,15);2*1-2H3.
What are the key properties of 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane?
5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane has a molecular weight of 294.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluoropiperidin-1-yl)methyl]morpholin-3-one;ethane is sourced from PubChem (CID 145497278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).