1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol

C15H21F3N2O — CID 111799260

IUPAC1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol
SMILESCC(N1CCN(CC(O)c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-12(15(16,17)18)20-9-7-19(8-10-20)11-14(21)13-5-3-2-4-6-13/h2-6,12,14,21H,7-11H2,1H3
InChIKeyIIXCDIYCYUELHM-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.29
Rot. Bonds4

About 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol

1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol (PubChem CID 111799260) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol
PubChem CID111799260
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol
SMILESCC(N1CCN(CC(O)c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-12(15(16,17)18)20-9-7-19(8-10-20)11-14(21)13-5-3-2-4-6-13/h2-6,12,14,21H,7-11H2,1H3
InChIKeyIIXCDIYCYUELHM-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
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CID 198190
(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Etafedrine
CID 94532
Cinnamedrine
CID 5370611
alpha-(((1-Methylethyl)amino)methyl)benzenemethanol
CID 20119
4-Morpholineethanol, alpha-phenyl-
CID 20491
Eprozinol
CID 122553
8R-hydroxylobelane
CID 10782198
10S-hydroxylobelane
CID 10782199
2-(4-Methyl-piperazin-1-yl)-1-phenyl-ethanol
CID 223284

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol (CID 111799260) is 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol is CC(N1CCN(CC(O)c2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol?
The InChIKey is IIXCDIYCYUELHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-12(15(16,17)18)20-9-7-19(8-10-20)11-14(21)13-5-3-2-4-6-13/h2-6,12,14,21H,7-11H2,1H3.
What are the key properties of 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol?
1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol has a molecular weight of 302.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 111799260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).