3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol

C15H22F2N2O2 — CID 68991750

IUPAC3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
SMILESOCCC(c1cc(F)cc(F)c1)N1CCN(CCO)CC1
InChIInChI=1S/C15H22F2N2O2/c16-13-9-12(10-14(17)11-13)15(1-7-20)19-4-2-18(3-5-19)6-8-21/h9-11,15,20-21H,1-8H2
InChIKeyIHCNUOHPGYOUHX-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.00
Rot. Bonds6

About 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol

3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol (PubChem CID 68991750) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
PubChem CID68991750
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
SMILESOCCC(c1cc(F)cc(F)c1)N1CCN(CCO)CC1
InChIInChI=1S/C15H22F2N2O2/c16-13-9-12(10-14(17)11-13)15(1-7-20)19-4-2-18(3-5-19)6-8-21/h9-11,15,20-21H,1-8H2
InChIKeyIHCNUOHPGYOUHX-UHFFFAOYSA-N
XLogP1.00
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(3-chloro-5-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174371
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
CID 171164456
(2S)-2-(3,5-difluorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171173593
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
CID 82345138
2-[4-[(3,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 105407826
1-[(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164426
(3R)-3-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173429
1-[(1S)-1-(3,5-difluorophenyl)butyl]piperazine
CID 171164364
3-(3,5-difluorophenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 106534415
5-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,3-diol
CID 171189029
(4R)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171173728

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol (CID 68991750) is 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol is OCCC(c1cc(F)cc(F)c1)N1CCN(CCO)CC1.
What is the InChIKey of 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is IHCNUOHPGYOUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c16-13-9-12(10-14(17)11-13)15(1-7-20)19-4-2-18(3-5-19)6-8-21/h9-11,15,20-21H,1-8H2.
What are the key properties of 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol?
3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 300.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 68991750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).