1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol

C13H17F3N2O — CID 11346358

IUPAC1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol
SMILESOC(N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)12(19)18-8-6-17(7-9-18)10-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2
InChIKeyJZGOLNNEOUGVQY-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol

1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol (PubChem CID 11346358) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol
PubChem CID11346358
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol
SMILESOC(N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)12(19)18-8-6-17(7-9-18)10-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2
InChIKeyJZGOLNNEOUGVQY-UHFFFAOYSA-N
XLogP1.68
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol (CID 11346358) is 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol is OC(N1CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol?
The InChIKey is JZGOLNNEOUGVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)12(19)18-8-6-17(7-9-18)10-11-4-2-1-3-5-11/h1-5,12,19H,6-10H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol?
1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol has a molecular weight of 274.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 11346358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).