4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol

C11H16N4O2 — CID 135964588

IUPAC4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol
SMILESNN1CCN(/N=C\c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C11H16N4O2/c12-14-3-5-15(6-4-14)13-8-9-1-2-10(16)11(17)7-9/h1-2,7-8,16-17H,3-6,12H2/b13-8-
InChIKeyIFPLJYCJHXVKLI-JYRVWZFOSA-N
MW236.28 g/mol
LogP-0.08
Rot. Bonds2

About 4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol

4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol (PubChem CID 135964588) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol
PubChem CID135964588
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol
SMILESNN1CCN(/N=C\c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C11H16N4O2/c12-14-3-5-15(6-4-14)13-8-9-1-2-10(16)11(17)7-9/h1-2,7-8,16-17H,3-6,12H2/b13-8-
InChIKeyIFPLJYCJHXVKLI-JYRVWZFOSA-N
XLogP-0.08
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol (CID 135964588) is 4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol is NN1CCN(/N=C\c2ccc(O)c(O)c2)CC1.
What is the InChIKey of 4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol?
The InChIKey is IFPLJYCJHXVKLI-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-14-3-5-15(6-4-14)13-8-9-1-2-10(16)11(17)7-9/h1-2,7-8,16-17H,3-6,12H2/b13-8-.
What are the key properties of 4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol?
4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol has a molecular weight of 236.28 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(4-aminopiperazin-1-yl)iminomethyl]benzene-1,2-diol is sourced from PubChem (CID 135964588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).