1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol

C11H14BrFN2O — CID 116735284

IUPAC1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol
SMILESNc1cc(F)c(Br)cc1N1CCC(O)CC1
InChIInChI=1S/C11H14BrFN2O/c12-8-5-11(10(14)6-9(8)13)15-3-1-7(16)2-4-15/h5-7,16H,1-4,14H2
InChIKeyCWHNVHSXRQXOLY-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.13
Rot. Bonds1

About 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol

1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol (PubChem CID 116735284) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol
PubChem CID116735284
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol
SMILESNc1cc(F)c(Br)cc1N1CCC(O)CC1
InChIInChI=1S/C11H14BrFN2O/c12-8-5-11(10(14)6-9(8)13)15-3-1-7(16)2-4-15/h5-7,16H,1-4,14H2
InChIKeyCWHNVHSXRQXOLY-UHFFFAOYSA-N
XLogP2.13
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 116735269
1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667362
5-bromo-4-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 66112236
4-bromo-2-(4-cyclopentylpiperazin-1-yl)-5-fluoroaniline
CID 116735846
4-bromo-5-fluoro-2-(4-propan-2-ylazepan-1-yl)aniline
CID 116735995
4-bromo-5-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]aniline
CID 116735900
1-(2-amino-4-bromophenyl)piperidin-4-ol
CID 24695126
1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
CID 106835340
4-bromo-5-fluoro-2-(3-propylpyrrolidin-1-yl)aniline
CID 116736254
2-(azocan-1-yl)-5-bromo-4-fluoroaniline
CID 66110484
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine
CID 107613029

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol (CID 116735284) is 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol is Nc1cc(F)c(Br)cc1N1CCC(O)CC1.
What is the InChIKey of 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol?
The InChIKey is CWHNVHSXRQXOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c12-8-5-11(10(14)6-9(8)13)15-3-1-7(16)2-4-15/h5-7,16H,1-4,14H2.
What are the key properties of 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol?
1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol has a molecular weight of 289.15 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 116735284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).