(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol

C20H23F3N2O — CID 6975605

IUPAC(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)18(26)15-24-11-13-25(14-12-24)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,26H,11-15H2/t18-/m0/s1
InChIKeyOBBIMRNLHDSSMY-SFHVURJKSA-N
MW364.41 g/mol
LogP3.32
Rot. Bonds5

About (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol

(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 6975605) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID6975605
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C20H23F3N2O/c21-20(22,23)18(26)15-24-11-13-25(14-12-24)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,26H,11-15H2/t18-/m0/s1
InChIKeyOBBIMRNLHDSSMY-SFHVURJKSA-N
XLogP3.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-ol
CID 2328997
(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
1-phenyl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]ethanol
CID 111799260
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 3844372
1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
CID 3072697
1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 2782952
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 34065761
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 167011971
2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
CID 58465527

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol (CID 6975605) is (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol is O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is OBBIMRNLHDSSMY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23F3N2O/c21-20(22,23)18(26)15-24-11-13-25(14-12-24)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,26H,11-15H2/t18-/m0/s1.
What are the key properties of (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 364.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 6975605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).