4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol

C17H20N2O2 — CID 118737764

IUPAC4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
SMILESOc1ccc(CN2CCN(c3ccccc3)CC2)cc1O
InChIInChI=1S/C17H20N2O2/c20-16-7-6-14(12-17(16)21)13-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h1-7,12,20-21H,8-11,13H2
InChIKeyVPERQCBGSXRUIE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.42
Rot. Bonds3

About 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol

4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol (PubChem CID 118737764) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
PubChem CID118737764
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
SMILESOc1ccc(CN2CCN(c3ccccc3)CC2)cc1O
InChIInChI=1S/C17H20N2O2/c20-16-7-6-14(12-17(16)21)13-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h1-7,12,20-21H,8-11,13H2
InChIKeyVPERQCBGSXRUIE-UHFFFAOYSA-N
XLogP2.42
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.42
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

4-[[4-[(3,4-dihydroxyphenyl)methyl]piperazin-1-yl]methyl]benzene-1,2-diol
CID 10381970
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 818475
4-(4-benzylpiperazin-1-yl)-2-fluorophenol
CID 46737218
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
3-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]phenol
CID 110008096
3-[(4-phenylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 39160651
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
but-2-enedioic acid;1-phenyl-4-[(3-phenylphenyl)methyl]piperazine
CID 70248909

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol (CID 118737764) is 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol is Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1O.
What is the InChIKey of 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol?
The InChIKey is VPERQCBGSXRUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-7-6-14(12-17(16)21)13-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h1-7,12,20-21H,8-11,13H2.
What are the key properties of 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol?
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol has a molecular weight of 284.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol is sourced from PubChem (CID 118737764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).