morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone

C12H20F3N3O2 — CID 119899931

IUPACmorpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
SMILESCC(N1CCN(C(=O)C2CNCCO2)CC1)C(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-9(12(13,14)15)17-3-5-18(6-4-17)11(19)10-8-16-2-7-20-10/h9-10,16H,2-8H2,1H3
InChIKeyUDHJTHDCNLFJQF-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.07
Rot. Bonds2

About morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone

morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone (PubChem CID 119899931) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
PubChem CID119899931
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Namemorpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
SMILESCC(N1CCN(C(=O)C2CNCCO2)CC1)C(F)(F)F
InChIInChI=1S/C12H20F3N3O2/c1-9(12(13,14)15)17-3-5-18(6-4-17)11(19)10-8-16-2-7-20-10/h9-10,16H,2-8H2,1H3
InChIKeyUDHJTHDCNLFJQF-UHFFFAOYSA-N
XLogP0.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone?
The IUPAC name of morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone (CID 119899931) is morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone is CC(N1CCN(C(=O)C2CNCCO2)CC1)C(F)(F)F.
What is the InChIKey of morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone?
The InChIKey is UDHJTHDCNLFJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-9(12(13,14)15)17-3-5-18(6-4-17)11(19)10-8-16-2-7-20-10/h9-10,16H,2-8H2,1H3.
What are the key properties of morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone?
morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone has a molecular weight of 295.31 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 119899931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).