(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

C19H21F3N2O — CID 52532585

IUPAC(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESO[C@@H](CN1CCN(c2ccccc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-9-5-4-8-16(17)18(25)14-23-10-12-24(13-11-23)15-6-2-1-3-7-15/h1-9,18,25H,10-14H2/t18-/m0/s1
InChIKeySZSIYCHMFQTILX-SFHVURJKSA-N
MW350.38 g/mol
LogP3.56
Rot. Bonds4

About (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 52532585) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID52532585
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESO[C@@H](CN1CCN(c2ccccc2)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H21F3N2O/c20-19(21,22)17-9-5-4-8-16(17)18(25)14-23-10-12-24(13-11-23)15-6-2-1-3-7-15/h1-9,18,25H,10-14H2/t18-/m0/s1
InChIKeySZSIYCHMFQTILX-SFHVURJKSA-N
XLogP3.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 55989486
(1R)-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94866467
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
CID 3044988
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 52538350
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
3,3,3-trifluoro-2-[(4-phenylpiperazin-1-yl)methyl]propanethioamide
CID 103368482
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 52532585) is (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is SZSIYCHMFQTILX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21F3N2O/c20-19(21,22)17-9-5-4-8-16(17)18(25)14-23-10-12-24(13-11-23)15-6-2-1-3-7-15/h1-9,18,25H,10-14H2/t18-/m0/s1.
What are the key properties of (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
(1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 350.38 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-phenylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 52532585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).