4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol

C16H25FN2O — CID 104582302

IUPAC4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol
SMILESCC(NCCC1CCN(C)CC1)c1cc(F)ccc1O
InChIInChI=1S/C16H25FN2O/c1-12(15-11-14(17)3-4-16(15)20)18-8-5-13-6-9-19(2)10-7-13/h3-4,11-13,18,20H,5-10H2,1-2H3
InChIKeyBIUHLVOJGIPWNN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.91
Rot. Bonds5

About 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol

4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol (PubChem CID 104582302) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol
PubChem CID104582302
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol
SMILESCC(NCCC1CCN(C)CC1)c1cc(F)ccc1O
InChIInChI=1S/C16H25FN2O/c1-12(15-11-14(17)3-4-16(15)20)18-8-5-13-6-9-19(2)10-7-13/h3-4,11-13,18,20H,5-10H2,1-2H3
InChIKeyBIUHLVOJGIPWNN-UHFFFAOYSA-N
XLogP2.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]benzene-1,4-diol
CID 114515122
1-(2,4-dibromophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 114515232
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
4-fluoro-2-[(1S)-1-(2-methoxyethylamino)ethyl]phenol
CID 97050882
4-fluoro-2-hydroxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103829910
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210
2-[1-(3-ethylpyrrolidin-1-yl)ethyl]-4-fluorophenol
CID 113419566
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
4-fluoro-2-[1-(2,2,3-trimethylbutylamino)ethyl]phenol
CID 102613622
N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615001

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol?
The IUPAC name of 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol (CID 104582302) is 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol is CC(NCCC1CCN(C)CC1)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol?
The InChIKey is BIUHLVOJGIPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(15-11-14(17)3-4-16(15)20)18-8-5-13-6-9-19(2)10-7-13/h3-4,11-13,18,20H,5-10H2,1-2H3.
What are the key properties of 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol?
4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol has a molecular weight of 280.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 104582302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).