2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol

C13H19BrN2O — CID 115280835

IUPAC2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol
SMILESCCN1CCN(Cc2ccc(O)c(Br)c2)CC1
InChIInChI=1S/C13H19BrN2O/c1-2-15-5-7-16(8-6-15)10-11-3-4-13(17)12(14)9-11/h3-4,9,17H,2,5-8,10H2,1H3
InChIKeyHXENPCOMEWKRBJ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.29
Rot. Bonds3

About 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol

2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol (PubChem CID 115280835) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol
PubChem CID115280835
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol
SMILESCCN1CCN(Cc2ccc(O)c(Br)c2)CC1
InChIInChI=1S/C13H19BrN2O/c1-2-15-5-7-16(8-6-15)10-11-3-4-13(17)12(14)9-11/h3-4,9,17H,2,5-8,10H2,1H3
InChIKeyHXENPCOMEWKRBJ-UHFFFAOYSA-N
XLogP2.29
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-[(4-tert-butylpiperazin-1-yl)methyl]phenol
CID 115282413
2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
CID 82985669
2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82983375
4-[[4-[(3,4-dihydroxyphenyl)methyl]piperazin-1-yl]methyl]benzene-1,2-diol
CID 10381970
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
1-[(4-bromo-3-nitrophenyl)methyl]-4-ethylpiperazine
CID 113222699
5-(azepan-1-ylmethyl)-2-bromophenol
CID 117220063
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
CID 122520466
[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]boronic acid
CID 54971095
4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline
CID 63188373

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol (CID 115280835) is 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol is CCN1CCN(Cc2ccc(O)c(Br)c2)CC1.
What is the InChIKey of 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol?
The InChIKey is HXENPCOMEWKRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-2-15-5-7-16(8-6-15)10-11-3-4-13(17)12(14)9-11/h3-4,9,17H,2,5-8,10H2,1H3.
What are the key properties of 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol?
2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol has a molecular weight of 299.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 115280835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).