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

C12H19F3N2O2 — CID 163345861

IUPAC1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10-1-3-16(4-2-10)9-11(18)17-5-7-19-8-6-17/h10H,1-9H2
InChIKeyPEWMVSPHHNRRPL-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.12
Rot. Bonds2

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

1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 163345861) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID163345861
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(F)(F)F)CC1)N1CCOCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10-1-3-16(4-2-10)9-11(18)17-5-7-19-8-6-17/h10H,1-9H2
InChIKeyPEWMVSPHHNRRPL-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 163345861) is 1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCC(C(F)(F)F)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is PEWMVSPHHNRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)10-1-3-16(4-2-10)9-11(18)17-5-7-19-8-6-17/h10H,1-9H2.
What are the key properties of 1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 280.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 163345861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).