2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol

C15H22BrFN2O — CID 111105354

IUPAC2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
SMILESCN1CCC(N(CCO)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H22BrFN2O/c1-18-6-4-13(5-7-18)19(8-9-20)11-12-2-3-15(17)14(16)10-12/h2-3,10,13,20H,4-9,11H2,1H3
InChIKeyZTBIQWBHGUAUSE-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.48
Rot. Bonds5

About 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol

2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol (PubChem CID 111105354) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
PubChem CID111105354
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
SMILESCN1CCC(N(CCO)Cc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H22BrFN2O/c1-18-6-4-13(5-7-18)19(8-9-20)11-12-2-3-15(17)14(16)10-12/h2-3,10,13,20H,4-9,11H2,1H3
InChIKeyZTBIQWBHGUAUSE-UHFFFAOYSA-N
XLogP2.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol
CID 61036825
2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 71932836
N-(2-bromoethyl)-N-[(3-bromo-4-fluorophenyl)methyl]cyclohexanamine
CID 80674032
3-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]propanethioamide
CID 54997392
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879297
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]ethanol
CID 114166335
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol (CID 111105354) is 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol is CN1CCC(N(CCO)Cc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol?
The InChIKey is ZTBIQWBHGUAUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-18-6-4-13(5-7-18)19(8-9-20)11-12-2-3-15(17)14(16)10-12/h2-3,10,13,20H,4-9,11H2,1H3.
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol?
2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol has a molecular weight of 345.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 111105354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).