4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol

C12H18N4O2 — CID 136646914

IUPAC4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol
SMILESN/N=C/c1ccc(O)c(CN2CCNCC2)c1O
InChIInChI=1S/C12H18N4O2/c13-15-7-9-1-2-11(17)10(12(9)18)8-16-5-3-14-4-6-16/h1-2,7,14,17-18H,3-6,8,13H2/b15-7+
InChIKeyRNMNGKNSPMKRPN-VIZOYTHASA-N
MW250.30 g/mol
LogP-0.20
Rot. Bonds3

About 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol

4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol (PubChem CID 136646914) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol
PubChem CID136646914
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol
SMILESN/N=C/c1ccc(O)c(CN2CCNCC2)c1O
InChIInChI=1S/C12H18N4O2/c13-15-7-9-1-2-11(17)10(12(9)18)8-16-5-3-14-4-6-16/h1-2,7,14,17-18H,3-6,8,13H2/b15-7+
InChIKeyRNMNGKNSPMKRPN-VIZOYTHASA-N
XLogP-0.20
TPSA94.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol?
The IUPAC name of 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol (CID 136646914) is 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol?
The canonical SMILES for 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol is N/N=C/c1ccc(O)c(CN2CCNCC2)c1O.
What is the InChIKey of 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol?
The InChIKey is RNMNGKNSPMKRPN-VIZOYTHASA-N. The full InChI is InChI=1S/C12H18N4O2/c13-15-7-9-1-2-11(17)10(12(9)18)8-16-5-3-14-4-6-16/h1-2,7,14,17-18H,3-6,8,13H2/b15-7+.
What are the key properties of 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol?
4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol has a molecular weight of 250.30 g/mol, XLogP of -0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hydrazinylidenemethyl]-2-(piperazin-1-ylmethyl)benzene-1,3-diol is sourced from PubChem (CID 136646914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).