2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol

C15H23FN2O2 — CID 63593025

IUPAC2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol
SMILESCCOc1cc(N2CCCCC2CCO)c(N)cc1F
InChIInChI=1S/C15H23FN2O2/c1-2-20-15-10-14(13(17)9-12(15)16)18-7-4-3-5-11(18)6-8-19/h9-11,19H,2-8,17H2,1H3
InChIKeyYCBWZDQTGAUEIK-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.55
Rot. Bonds5

About 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol

2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol (PubChem CID 63593025) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol
PubChem CID63593025
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol
SMILESCCOc1cc(N2CCCCC2CCO)c(N)cc1F
InChIInChI=1S/C15H23FN2O2/c1-2-20-15-10-14(13(17)9-12(15)16)18-7-4-3-5-11(18)6-8-19/h9-11,19H,2-8,17H2,1H3
InChIKeyYCBWZDQTGAUEIK-UHFFFAOYSA-N
XLogP2.55
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.55
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-(2-amino-4-fluoro-5-propoxyphenyl)azepan-2-yl]methanol
CID 116634014
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol
CID 83001586
2-(2-ethylazepan-1-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 104688790
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
3-[1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-2-yl]propan-1-ol
CID 107259161
[1-(2-amino-5-ethoxy-4-fluorophenyl)pyrrolidin-3-yl]methanol
CID 112624054
4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258766
4-ethoxy-5-fluoro-2-piperazin-1-ylaniline
CID 63592529
[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol
CID 116735604
2-(3,4-dimethylpyrrolidin-1-yl)-4-ethoxy-5-fluoroaniline
CID 79189086
1-(2-amino-5-ethoxy-4-fluorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63594136
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol (CID 63593025) is 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol is CCOc1cc(N2CCCCC2CCO)c(N)cc1F.
What is the InChIKey of 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol?
The InChIKey is YCBWZDQTGAUEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-2-20-15-10-14(13(17)9-12(15)16)18-7-4-3-5-11(18)6-8-19/h9-11,19H,2-8,17H2,1H3.
What are the key properties of 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol?
2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol has a molecular weight of 282.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 63593025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).