2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol

C11H21F3N2O — CID 55142134

IUPAC2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCC(C)(CO)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-10(2,9-17)7-15-3-5-16(6-4-15)8-11(12,13)14/h17H,3-9H2,1-2H3
InChIKeyLDFHFFQXGMAHFU-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.18
Rot. Bonds4

About 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol

2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (PubChem CID 55142134) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
PubChem CID55142134
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCC(C)(CO)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-10(2,9-17)7-15-3-5-16(6-4-15)8-11(12,13)14/h17H,3-9H2,1-2H3
InChIKeyLDFHFFQXGMAHFU-UHFFFAOYSA-N
XLogP1.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (CID 55142134) is 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is CC(C)(CO)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is LDFHFFQXGMAHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-10(2,9-17)7-15-3-5-16(6-4-15)8-11(12,13)14/h17H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 55142134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).