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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Related Compounds

2,2,2-Trifluoro-1-(4-oxa-1,9-diazaspiro[5.5]undecan-1-yl)ethanone
CID 88544987
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 43603384
1-Morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 64850618
4-ethoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 80365604
4-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 80365748
2-morpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 80420951
2-Morpholin-3-yl-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 80421598
N-methyl-2-morpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 80421633
N-ethyl-2-morpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 80421986
N-cyclopropyl-2-morpholin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 80421987
2-Morpholin-3-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 80422067
N-methyl-2-morpholin-3-yl-N-(3,3,3-trifluoropropyl)acetamide
CID 80422194

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).