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

C15H23BrN2O — CID 71932836

IUPAC2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
SMILESCN1CCC(N(CCO)Cc2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-7-5-15(6-8-17)18(9-10-19)12-13-3-2-4-14(16)11-13/h2-4,11,15,19H,5-10,12H2,1H3
InChIKeyKANWRTSUDWCCFX-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.34
Rot. Bonds5

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

2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol (PubChem CID 71932836) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
PubChem CID71932836
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
SMILESCN1CCC(N(CCO)Cc2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-7-5-15(6-8-17)18(9-10-19)12-13-3-2-4-14(16)11-13/h2-4,11,15,19H,5-10,12H2,1H3
InChIKeyKANWRTSUDWCCFX-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 111105354
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]phenol
CID 102679360
N-[3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetamide
CID 110921357
2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol
CID 115586347
N-[(3-bromophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231881
2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol
CID 61036825
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111112920
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]benzamide
CID 62016224
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide
CID 91653095
2-[(3-bromophenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044474
3-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 102873726

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol (CID 71932836) is 2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol is CN1CCC(N(CCO)Cc2cccc(Br)c2)CC1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol?
The InChIKey is KANWRTSUDWCCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17-7-5-15(6-8-17)18(9-10-19)12-13-3-2-4-14(16)11-13/h2-4,11,15,19H,5-10,12H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol?
2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol has a molecular weight of 327.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 71932836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).