1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone

C12H19F3N2O2 — CID 56864653

IUPAC1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(C(F)(F)F)C1)N1CCCCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10-8-16(6-7-19-10)9-11(18)17-4-2-1-3-5-17/h10H,1-9H2
InChIKeyYBAYGXNKPSTCIV-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.26
Rot. Bonds2

About 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone

1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone (PubChem CID 56864653) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone
PubChem CID56864653
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone
SMILESO=C(CN1CCOC(C(F)(F)F)C1)N1CCCCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10-8-16(6-7-19-10)9-11(18)17-4-2-1-3-5-17/h10H,1-9H2
InChIKeyYBAYGXNKPSTCIV-UHFFFAOYSA-N
XLogP1.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone (CID 56864653) is 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone is O=C(CN1CCOC(C(F)(F)F)C1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
The InChIKey is YBAYGXNKPSTCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)10-8-16(6-7-19-10)9-11(18)17-4-2-1-3-5-17/h10H,1-9H2.
What are the key properties of 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone?
1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone has a molecular weight of 280.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[2-(trifluoromethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 56864653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).