1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol

C15H23BrN2O — CID 55130530

IUPAC1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CCC(N(C)C)CC2)c(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-11(19)12-4-5-15(14(16)10-12)18-8-6-13(7-9-18)17(2)3/h4-5,10-11,13,19H,6-9H2,1-3H3
InChIKeyITOOSMWYFURQNB-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.03
Rot. Bonds3

About 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol

1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol (PubChem CID 55130530) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
PubChem CID55130530
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
SMILESCC(O)c1ccc(N2CCC(N(C)C)CC2)c(Br)c1
InChIInChI=1S/C15H23BrN2O/c1-11(19)12-4-5-15(14(16)10-12)18-8-6-13(7-9-18)17(2)3/h4-5,10-11,13,19H,6-9H2,1-3H3
InChIKeyITOOSMWYFURQNB-UHFFFAOYSA-N
XLogP3.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(azepan-1-yl)-3-bromophenyl]ethanol
CID 62907818
1-[3-bromo-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909726
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939151
1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 139516178
1-[3-bromo-4-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626299
(1R)-1-[3-bromo-4-(4-propylazepan-1-yl)phenyl]ethanol
CID 78992812
1-[4-[4-(dimethylamino)piperidin-1-yl]-3-nitrophenyl]ethanol
CID 43586220
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]pyrrolidine-3-carboxamide
CID 114082228
1-[2-bromo-4-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
CID 81103130
(1R)-1-[3-bromo-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 63370615
(1S)-1-[3-bromo-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940984
(1S)-1-[4-(8-azaspiro[4.5]decan-8-yl)-3-bromophenyl]ethanol
CID 78941137

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
The IUPAC name of 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol (CID 55130530) is 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol.
What is the SMILES notation for 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
The canonical SMILES for 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol is CC(O)c1ccc(N2CCC(N(C)C)CC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
The InChIKey is ITOOSMWYFURQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11(19)12-4-5-15(14(16)10-12)18-8-6-13(7-9-18)17(2)3/h4-5,10-11,13,19H,6-9H2,1-3H3.
What are the key properties of 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol?
1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol has a molecular weight of 327.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 55130530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).