2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol

C13H18F2N2O — CID 116860268

IUPAC2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(C(CO)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H18F2N2O/c1-16-4-6-17(7-5-16)13(9-18)10-2-3-11(14)12(15)8-10/h2-3,8,13,18H,4-7,9H2,1H3
InChIKeyZQAVPFCVTNVXQG-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.25
Rot. Bonds3

About 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol

2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 116860268) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID116860268
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(C(CO)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H18F2N2O/c1-16-4-6-17(7-5-16)13(9-18)10-2-3-11(14)12(15)8-10/h2-3,8,13,18H,4-7,9H2,1H3
InChIKeyZQAVPFCVTNVXQG-UHFFFAOYSA-N
XLogP1.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 82086942
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
2-[4-(diethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanol
CID 112539444
(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174363
3,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30441217
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
2-(4-butoxy-3-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 112540189
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
3,4-difluoro-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990737
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171173554
2-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylethanol
CID 116860294

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol (CID 116860268) is 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol is CN1CCN(C(CO)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is ZQAVPFCVTNVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-16-4-6-17(7-5-16)13(9-18)10-2-3-11(14)12(15)8-10/h2-3,8,13,18H,4-7,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol?
2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 256.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 116860268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).