2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol

C14H19BrN2O — CID 79968652

IUPAC2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1)C1CN2CCN1CC2
InChIInChI=1S/C14H19BrN2O/c15-12-3-1-11(2-4-12)9-14(18)13-10-16-5-7-17(13)8-6-16/h1-4,13-14,18H,5-10H2
InChIKeyZCIKRABODKCILU-UHFFFAOYSA-N
MW311.22 g/mol
LogP1.35
Rot. Bonds3

About 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol

2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol (PubChem CID 79968652) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol
PubChem CID79968652
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol
SMILESOC(Cc1ccc(Br)cc1)C1CN2CCN1CC2
InChIInChI=1S/C14H19BrN2O/c15-12-3-1-11(2-4-12)9-14(18)13-10-16-5-7-17(13)8-6-16/h1-4,13-14,18H,5-10H2
InChIKeyZCIKRABODKCILU-UHFFFAOYSA-N
XLogP1.35
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethylethanamine
CID 79974007
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
2-(4-bromophenyl)-1-piperidin-4-ylethanol
CID 79016497
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105249872
2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105077495
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658825
2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 79746206
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (4-bromophenyl)methyl carbonate
CID 59187190
2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980174
2-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)ethanol
CID 113393940
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol?
The IUPAC name of 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol (CID 79968652) is 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol?
The canonical SMILES for 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol is OC(Cc1ccc(Br)cc1)C1CN2CCN1CC2.
What is the InChIKey of 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol?
The InChIKey is ZCIKRABODKCILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-12-3-1-11(2-4-12)9-14(18)13-10-16-5-7-17(13)8-6-16/h1-4,13-14,18H,5-10H2.
What are the key properties of 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol?
2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol has a molecular weight of 311.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)ethanol is sourced from PubChem (CID 79968652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).