1-cinnolin-4-ylpiperidin-4-ol

C13H15N3O — CID 55213972

IUPAC1-cinnolin-4-ylpiperidin-4-ol
SMILESOC1CCN(c2cnnc3ccccc23)CC1
InChIInChI=1S/C13H15N3O/c17-10-5-7-16(8-6-10)13-9-14-15-12-4-2-1-3-11(12)13/h1-4,9-10,17H,5-8H2
InChIKeyFZTLNVBVTKNLJQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.59
Rot. Bonds1

About 1-cinnolin-4-ylpiperidin-4-ol

1-cinnolin-4-ylpiperidin-4-ol (PubChem CID 55213972) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-cinnolin-4-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-cinnolin-4-ylpiperidin-4-ol
PubChem CID55213972
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-cinnolin-4-ylpiperidin-4-ol
SMILESOC1CCN(c2cnnc3ccccc23)CC1
InChIInChI=1S/C13H15N3O/c17-10-5-7-16(8-6-10)13-9-14-15-12-4-2-1-3-11(12)13/h1-4,9-10,17H,5-8H2
InChIKeyFZTLNVBVTKNLJQ-UHFFFAOYSA-N
XLogP1.59
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cinnolin-4-ylpiperidin-4-ol?
The IUPAC name of 1-cinnolin-4-ylpiperidin-4-ol (CID 55213972) is 1-cinnolin-4-ylpiperidin-4-ol.
What is the SMILES notation for 1-cinnolin-4-ylpiperidin-4-ol?
The canonical SMILES for 1-cinnolin-4-ylpiperidin-4-ol is OC1CCN(c2cnnc3ccccc23)CC1.
What is the InChIKey of 1-cinnolin-4-ylpiperidin-4-ol?
The InChIKey is FZTLNVBVTKNLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-10-5-7-16(8-6-10)13-9-14-15-12-4-2-1-3-11(12)13/h1-4,9-10,17H,5-8H2.
What are the key properties of 1-cinnolin-4-ylpiperidin-4-ol?
1-cinnolin-4-ylpiperidin-4-ol has a molecular weight of 229.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cinnolin-4-ylpiperidin-4-ol is sourced from PubChem (CID 55213972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).