1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

C15H21F3N2O — CID 62966550

IUPAC1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESCc1ccccc1C(O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c1-12-4-2-3-5-13(12)14(21)10-19-6-8-20(9-7-19)11-15(16,17)18/h2-5,14,21H,6-11H2,1H3
InChIKeyCDQZNLNJPHSPOU-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.21
Rot. Bonds4

About 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (PubChem CID 62966550) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
PubChem CID62966550
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESCc1ccccc1C(O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c1-12-4-2-3-5-13(12)14(21)10-19-6-8-20(9-7-19)11-15(16,17)18/h2-5,14,21H,6-11H2,1H3
InChIKeyCDQZNLNJPHSPOU-UHFFFAOYSA-N
XLogP2.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (CID 62966550) is 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is Cc1ccccc1C(O)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The InChIKey is CDQZNLNJPHSPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-12-4-2-3-5-13(12)14(21)10-19-6-8-20(9-7-19)11-15(16,17)18/h2-5,14,21H,6-11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol has a molecular weight of 302.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 62966550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).