(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol

C20H25FN2O2 — CID 95319125

IUPAC(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
SMILESO[C@H](CN1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C20H25FN2O2/c21-18-9-5-4-8-17(18)20(25)15-23-12-10-22(11-13-23)14-19(24)16-6-2-1-3-7-16/h1-9,19-20,24-25H,10-15H2/t19-,20+/m0/s1
InChIKeyQFSBAVGIQNOZDW-VQTJNVASSA-N
MW344.43 g/mol
LogP2.21
Rot. Bonds6

About (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol

(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol (PubChem CID 95319125) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
PubChem CID95319125
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
SMILESO[C@H](CN1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C20H25FN2O2/c21-18-9-5-4-8-17(18)20(25)15-23-12-10-22(11-13-23)14-19(24)16-6-2-1-3-7-16/h1-9,19-20,24-25H,10-15H2/t19-,20+/m0/s1
InChIKeyQFSBAVGIQNOZDW-VQTJNVASSA-N
XLogP2.21
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol 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

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
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
(1S)-1-(2-fluorophenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
CID 34187761
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110889743
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750499
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599
(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95601930
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol (CID 95319125) is (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol is O[C@H](CN1CCN(C[C@H](O)c2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol?
The InChIKey is QFSBAVGIQNOZDW-VQTJNVASSA-N. The full InChI is InChI=1S/C20H25FN2O2/c21-18-9-5-4-8-17(18)20(25)15-23-12-10-22(11-13-23)14-19(24)16-6-2-1-3-7-16/h1-9,19-20,24-25H,10-15H2/t19-,20+/m0/s1.
What are the key properties of (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol?
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol has a molecular weight of 344.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 95319125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).