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

C13H18BrFN2O — CID 106835340

IUPAC1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(F)c(Br)cc2N)CC1
InChIInChI=1S/C13H18BrFN2O/c1-8(18)9-2-4-17(5-3-9)13-7-11(15)10(14)6-12(13)16/h6-9,18H,2-5,16H2,1H3
InChIKeyJMIGDKGZZBHCAL-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.77
Rot. Bonds2

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

1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol (PubChem CID 106835340) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
PubChem CID106835340
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(F)c(Br)cc2N)CC1
InChIInChI=1S/C13H18BrFN2O/c1-8(18)9-2-4-17(5-3-9)13-7-11(15)10(14)6-12(13)16/h6-9,18H,2-5,16H2,1H3
InChIKeyJMIGDKGZZBHCAL-UHFFFAOYSA-N
XLogP2.77
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.77
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

5-bromo-4-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 66112236
4-bromo-5-fluoro-2-(4-propan-2-ylazepan-1-yl)aniline
CID 116735995
1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol
CID 116735284
4-bromo-5-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 116735269
5-bromo-4-fluoro-2-(4-propylazepan-1-yl)aniline
CID 66111343
2-(azocan-1-yl)-5-bromo-4-fluoroaniline
CID 66110484
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 106835243
N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide
CID 102735929
1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol
CID 112624251
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
1-[1-[4-fluoro-2-[(1S)-1-hydroxyethyl]-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836529
1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836488

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol (CID 106835340) is 1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2cc(F)c(Br)cc2N)CC1.
What is the InChIKey of 1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol?
The InChIKey is JMIGDKGZZBHCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-8(18)9-2-4-17(5-3-9)13-7-11(15)10(14)6-12(13)16/h6-9,18H,2-5,16H2,1H3.
What are the key properties of 1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol?
1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol has a molecular weight of 317.20 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106835340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).