4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol

C12H16N2O2 — CID 136915095

IUPAC4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N\N2CCCCC2)cc1O
InChIInChI=1S/C12H16N2O2/c15-11-5-4-10(8-12(11)16)9-13-14-6-2-1-3-7-14/h4-5,8-9,15-16H,1-3,6-7H2/b13-9-
InChIKeyGLQKJUQBWCHQHG-LCYFTJDESA-N
MW220.27 g/mol
LogP1.92
Rot. Bonds2

About 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol

4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol (PubChem CID 136915095) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol
PubChem CID136915095
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol
SMILESOc1ccc(/C=N\N2CCCCC2)cc1O
InChIInChI=1S/C12H16N2O2/c15-11-5-4-10(8-12(11)16)9-13-14-6-2-1-3-7-14/h4-5,8-9,15-16H,1-3,6-7H2/b13-9-
InChIKeyGLQKJUQBWCHQHG-LCYFTJDESA-N
XLogP1.92
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol?
The IUPAC name of 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol (CID 136915095) is 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol is Oc1ccc(/C=N\N2CCCCC2)cc1O.
What is the InChIKey of 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol?
The InChIKey is GLQKJUQBWCHQHG-LCYFTJDESA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-5-4-10(8-12(11)16)9-13-14-6-2-1-3-7-14/h4-5,8-9,15-16H,1-3,6-7H2/b13-9-.
What are the key properties of 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol?
4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol has a molecular weight of 220.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol is sourced from PubChem (CID 136915095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).