morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone

C12H19F3N2O2 — CID 124605945

IUPACmorpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1CC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)9-17-4-2-1-3-10(17)11(18)16-5-7-19-8-6-16/h10H,1-9H2/t10-/m0/s1
InChIKeyMDKBVHNHZZCJAY-JTQLQIEISA-N
MW280.29 g/mol
LogP1.26
Rot. Bonds2

About morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone

morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone (PubChem CID 124605945) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone
PubChem CID124605945
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Namemorpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone
SMILESO=C([C@@H]1CCCCN1CC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)9-17-4-2-1-3-10(17)11(18)16-5-7-19-8-6-16/h10H,1-9H2/t10-/m0/s1
InChIKeyMDKBVHNHZZCJAY-JTQLQIEISA-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 morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone (CID 124605945) is morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone is O=C([C@@H]1CCCCN1CC(F)(F)F)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone?
The InChIKey is MDKBVHNHZZCJAY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)9-17-4-2-1-3-10(17)11(18)16-5-7-19-8-6-16/h10H,1-9H2/t10-/m0/s1.
What are the key properties of morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone?
morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone 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 morpholin-4-yl-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methanone is sourced from PubChem (CID 124605945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).