2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

C21H26F2N2O — CID 30735774

IUPAC2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccc(F)c2F)CCN1CCc1ccccc1
InChIInChI=1S/C21H26F2N2O/c22-20-8-4-7-18(21(20)23)15-24-12-13-25(19(16-24)10-14-26)11-9-17-5-2-1-3-6-17/h1-8,19,26H,9-16H2/t19-/m1/s1
InChIKeyUYDGVBPSHMIHTD-LJQANCHMSA-N
MW360.45 g/mol
LogP3.08
Rot. Bonds7

About 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol

2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (PubChem CID 30735774) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
PubChem CID30735774
Molecular FormulaC21H26F2N2O
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
SMILESOCC[C@@H]1CN(Cc2cccc(F)c2F)CCN1CCc1ccccc1
InChIInChI=1S/C21H26F2N2O/c22-20-8-4-7-18(21(20)23)15-24-12-13-25(19(16-24)10-14-26)11-9-17-5-2-1-3-6-17/h1-8,19,26H,9-16H2/t19-/m1/s1
InChIKeyUYDGVBPSHMIHTD-LJQANCHMSA-N
XLogP3.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56707189
2-[(2R)-1-(2-phenylethyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29185332
2-[4-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45195244
2-[4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45172266
2-[4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45248351
2-[[(3S)-4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 30868105
3-[[3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]chromen-4-one
CID 45196251
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
4-chloro-2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
CID 45219951
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 93233392
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 98587642
2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51634610

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol (CID 30735774) is 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is OCC[C@@H]1CN(Cc2cccc(F)c2F)CCN1CCc1ccccc1.
What is the InChIKey of 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
The InChIKey is UYDGVBPSHMIHTD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26F2N2O/c22-20-8-4-7-18(21(20)23)15-24-12-13-25(19(16-24)10-14-26)11-9-17-5-2-1-3-6-17/h1-8,19,26H,9-16H2/t19-/m1/s1.
What are the key properties of 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol?
2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol has a molecular weight of 360.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 30735774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).