1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone

C11H18F2N2O2 — CID 116991496

IUPAC1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCCC(F)(F)C1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)2-1-4-15(8-11)10(16)6-9-7-17-5-3-14-9/h9,14H,1-8H2
InChIKeyBHLQOIWCCRMAFO-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.62
Rot. Bonds2

About 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone

1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone (PubChem CID 116991496) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone
PubChem CID116991496
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone
SMILESO=C(CC1COCCN1)N1CCCC(F)(F)C1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)2-1-4-15(8-11)10(16)6-9-7-17-5-3-14-9/h9,14H,1-8H2
InChIKeyBHLQOIWCCRMAFO-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone?
The IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone (CID 116991496) is 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone?
The canonical SMILES for 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone is O=C(CC1COCCN1)N1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone?
The InChIKey is BHLQOIWCCRMAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-11(13)2-1-4-15(8-11)10(16)6-9-7-17-5-3-14-9/h9,14H,1-8H2.
What are the key properties of 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone?
1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone has a molecular weight of 248.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidin-1-yl)-2-morpholin-3-ylethanone is sourced from PubChem (CID 116991496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).