4-(4-methylpiperazin-1-yl)benzene-1,2-diol

C11H16N2O2 — CID 84676102

IUPAC4-(4-methylpiperazin-1-yl)benzene-1,2-diol
SMILESCN1CCN(c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C11H16N2O2/c1-12-4-6-13(7-5-12)9-2-3-10(14)11(15)8-9/h2-3,8,14-15H,4-7H2,1H3
InChIKeyPNBWASNCIJPIGH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.85
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)benzene-1,2-diol

4-(4-methylpiperazin-1-yl)benzene-1,2-diol (PubChem CID 84676102) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)benzene-1,2-diol
PubChem CID84676102
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(4-methylpiperazin-1-yl)benzene-1,2-diol
SMILESCN1CCN(c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C11H16N2O2/c1-12-4-6-13(7-5-12)9-2-3-10(14)11(15)8-9/h2-3,8,14-15H,4-7H2,1H3
InChIKeyPNBWASNCIJPIGH-UHFFFAOYSA-N
XLogP0.85
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

Edrophonium Chloride
CID 8307
Edrophonium
CID 3202
3-(Diethylamino)phenol
CID 7062
1-(4-(4-Hydroxyphenyl)piperazin-1-yl)ethanone
CID 712441
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336
1-(3-Hydroxyphenyl)-4-propylpiperazine
CID 22397846
3-Hydroxyacetaminophen
CID 161950
p-(4-Isopropyl-1-piperazinyl)phenol
CID 689098
N,N-Dibutyl-3-aminophenol
CID 601234
4-[methyl(Nitroso)amino]benzene-1,2-Diol
CID 1607
3-[(2S)-2,4-dimethylpiperazin-1-yl]phenol
CID 54582146
3-(Piperidin-1-yl)phenol
CID 229855

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)benzene-1,2-diol?
The IUPAC name of 4-(4-methylpiperazin-1-yl)benzene-1,2-diol (CID 84676102) is 4-(4-methylpiperazin-1-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)benzene-1,2-diol?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)benzene-1,2-diol is CN1CCN(c2ccc(O)c(O)c2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)benzene-1,2-diol?
The InChIKey is PNBWASNCIJPIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-4-6-13(7-5-12)9-2-3-10(14)11(15)8-9/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)benzene-1,2-diol?
4-(4-methylpiperazin-1-yl)benzene-1,2-diol has a molecular weight of 208.26 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)benzene-1,2-diol is sourced from PubChem (CID 84676102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).