1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol

C12H23F3N2O2 — CID 56778724

IUPAC1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(CCOCC(F)(F)F)CC1C
InChIInChI=1S/C12H23F3N2O2/c1-10-7-16(3-4-17(10)8-11(2)18)5-6-19-9-12(13,14)15/h10-11,18H,3-9H2,1-2H3
InChIKeyHQYSIRDSGKCRFQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.95
Rot. Bonds6

About 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol

1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol (PubChem CID 56778724) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol
PubChem CID56778724
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(CCOCC(F)(F)F)CC1C
InChIInChI=1S/C12H23F3N2O2/c1-10-7-16(3-4-17(10)8-11(2)18)5-6-19-9-12(13,14)15/h10-11,18H,3-9H2,1-2H3
InChIKeyHQYSIRDSGKCRFQ-UHFFFAOYSA-N
XLogP0.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol (CID 56778724) is 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(CCOCC(F)(F)F)CC1C.
What is the InChIKey of 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol?
The InChIKey is HQYSIRDSGKCRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-10-7-16(3-4-17(10)8-11(2)18)5-6-19-9-12(13,14)15/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol?
1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol has a molecular weight of 284.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 56778724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).