2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol

C14H22FN3O — CID 43592142

IUPAC2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
SMILESCC(N)c1cc(F)ccc1N1CCN(CCO)CC1
InChIInChI=1S/C14H22FN3O/c1-11(16)13-10-12(15)2-3-14(13)18-6-4-17(5-7-18)8-9-19/h2-3,10-11,19H,4-9,16H2,1H3
InChIKeySGSMDPGZCDQAAK-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.96
Rot. Bonds4

About 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol

2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol (PubChem CID 43592142) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
PubChem CID43592142
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
SMILESCC(N)c1cc(F)ccc1N1CCN(CCO)CC1
InChIInChI=1S/C14H22FN3O/c1-11(16)13-10-12(15)2-3-14(13)18-6-4-17(5-7-18)8-9-19/h2-3,10-11,19H,4-9,16H2,1H3
InChIKeySGSMDPGZCDQAAK-UHFFFAOYSA-N
XLogP0.96
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(1-aminoethyl)-4-fluorophenyl]-1,4-diazepan-1-yl]ethanol
CID 107223420
(1R)-1-[5-fluoro-2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanamine
CID 63368809
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148
1-[2-(1-aminoethyl)-4-fluorophenyl]pyrrolidine-3,4-diol
CID 106669964
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
(1S)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 78935771
5-fluoro-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 55232505

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol (CID 43592142) is 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol is CC(N)c1cc(F)ccc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol?
The InChIKey is SGSMDPGZCDQAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-11(16)13-10-12(15)2-3-14(13)18-6-4-17(5-7-18)8-9-19/h2-3,10-11,19H,4-9,16H2,1H3.
What are the key properties of 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol?
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol has a molecular weight of 267.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 43592142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).