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

C22H28F2N2O — CID 56707189

IUPAC2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccc(F)cc2F)CCN1CCCc1ccccc1
InChIInChI=1S/C22H28F2N2O/c23-20-9-8-19(22(24)15-20)16-25-12-13-26(21(17-25)10-14-27)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,21,27H,4,7,10-14,16-17H2
InChIKeyXTKXWUBVVZLQQO-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.47
Rot. Bonds8

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

2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 56707189) has the molecular formula C22H28F2N2O and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID56707189
Molecular FormulaC22H28F2N2O
Molecular Weight374.47 g/mol
Exact Mass374.22
IUPAC Name2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccc(F)cc2F)CCN1CCCc1ccccc1
InChIInChI=1S/C22H28F2N2O/c23-20-9-8-19(22(24)15-20)16-25-12-13-26(21(17-25)10-14-27)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,21,27H,4,7,10-14,16-17H2
InChIKeyXTKXWUBVVZLQQO-UHFFFAOYSA-N
XLogP3.47
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
4-chloro-2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
CID 45219951
2-[(2R)-4-[(2,3-difluorophenyl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 30735774
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000
2-[4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56855840
2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 51723076
2-[(2R)-1-(cyclohexylmethyl)-4-[(2,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29151142
2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45172721
2-[4-[(4-ethynylphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723883
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45243889
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45192797

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 56707189) is 2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2ccc(F)cc2F)CCN1CCCc1ccccc1.
What is the InChIKey of 2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is XTKXWUBVVZLQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2O/c23-20-9-8-19(22(24)15-20)16-25-12-13-26(21(17-25)10-14-27)11-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,21,27H,4,7,10-14,16-17H2.
What are the key properties of 2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 374.47 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 56707189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).