1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol

C12H18FN3O — CID 118163026

IUPAC1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C12H18FN3O/c1-9(17)15-4-6-16(7-5-15)10-2-3-12(14)11(13)8-10/h2-3,8-9,17H,4-7,14H2,1H3
InChIKeyVXAAXMJOXMKNQC-UHFFFAOYSA-N
MW239.29 g/mol
LogP0.87
Rot. Bonds2

About 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol

1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol (PubChem CID 118163026) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol
PubChem CID118163026
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C12H18FN3O/c1-9(17)15-4-6-16(7-5-15)10-2-3-12(14)11(13)8-10/h2-3,8-9,17H,4-7,14H2,1H3
InChIKeyVXAAXMJOXMKNQC-UHFFFAOYSA-N
XLogP0.87
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(benzhydrylamino)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 134589329
2-amino-5-(4-propan-2-ylpiperazin-1-yl)benzoic acid
CID 60989507
2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 146019174
2-fluoro-4-[(3R)-3-methylpiperazin-1-yl]aniline
CID 174945496
4-(4-butan-2-ylpiperazin-1-yl)-2-fluorobenzenecarbothioamide
CID 115368269
4-(4-propan-2-ylpiperazin-1-yl)-2-propoxyaniline
CID 63669983
1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine
CID 139958043
2-(1-methylpyrazol-4-yl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 171118314
4-(4-butan-2-ylpiperazin-1-yl)-2-propoxyaniline
CID 63677340
[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol
CID 59473921
(2S)-1-(4-aminophenoxy)-3-[4-(3,4-difluorophenyl)piperazin-1-yl]propan-2-ol;ethane
CID 143892719
4-(azocan-1-yl)-2-propan-2-yloxyaniline
CID 83002719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol (CID 118163026) is 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol is CC(O)N1CCN(c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol?
The InChIKey is VXAAXMJOXMKNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9(17)15-4-6-16(7-5-15)10-2-3-12(14)11(13)8-10/h2-3,8-9,17H,4-7,14H2,1H3.
What are the key properties of 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol?
1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol has a molecular weight of 239.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 118163026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).