1-(2-methanehydrazonoylphenyl)piperidin-4-ol

C12H17N3O — CID 168529120

IUPAC1-(2-methanehydrazonoylphenyl)piperidin-4-ol
SMILESNN=Cc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C12H17N3O/c13-14-9-10-3-1-2-4-12(10)15-7-5-11(16)6-8-15/h1-4,9,11,16H,5-8,13H2
InChIKeyGVAQGVWQHQQSJZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.94
Rot. Bonds2

About 1-(2-methanehydrazonoylphenyl)piperidin-4-ol

1-(2-methanehydrazonoylphenyl)piperidin-4-ol (PubChem CID 168529120) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(2-methanehydrazonoylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-methanehydrazonoylphenyl)piperidin-4-ol
PubChem CID168529120
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(2-methanehydrazonoylphenyl)piperidin-4-ol
SMILESNN=Cc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C12H17N3O/c13-14-9-10-3-1-2-4-12(10)15-7-5-11(16)6-8-15/h1-4,9,11,16H,5-8,13H2
InChIKeyGVAQGVWQHQQSJZ-UHFFFAOYSA-N
XLogP0.94
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methanehydrazonoylphenyl)piperidin-4-ol?
The IUPAC name of 1-(2-methanehydrazonoylphenyl)piperidin-4-ol (CID 168529120) is 1-(2-methanehydrazonoylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-methanehydrazonoylphenyl)piperidin-4-ol?
The canonical SMILES for 1-(2-methanehydrazonoylphenyl)piperidin-4-ol is NN=Cc1ccccc1N1CCC(O)CC1.
What is the InChIKey of 1-(2-methanehydrazonoylphenyl)piperidin-4-ol?
The InChIKey is GVAQGVWQHQQSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-14-9-10-3-1-2-4-12(10)15-7-5-11(16)6-8-15/h1-4,9,11,16H,5-8,13H2.
What are the key properties of 1-(2-methanehydrazonoylphenyl)piperidin-4-ol?
1-(2-methanehydrazonoylphenyl)piperidin-4-ol has a molecular weight of 219.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methanehydrazonoylphenyl)piperidin-4-ol is sourced from PubChem (CID 168529120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).