1-piperidin-4-ylindazol-6-amine

C12H16N4 — CID 67193712

IUPAC1-piperidin-4-ylindazol-6-amine
SMILESNc1ccc2cnn(C3CCNCC3)c2c1
InChIInChI=1S/C12H16N4/c13-10-2-1-9-8-15-16(12(9)7-10)11-3-5-14-6-4-11/h1-2,7-8,11,14H,3-6,13H2
InChIKeyXJENYLJMRQVYDK-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.54
Rot. Bonds1

About 1-piperidin-4-ylindazol-6-amine

1-piperidin-4-ylindazol-6-amine (PubChem CID 67193712) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-piperidin-4-ylindazol-6-amine.

Molecular Properties

Compound Name1-piperidin-4-ylindazol-6-amine
PubChem CID67193712
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-piperidin-4-ylindazol-6-amine
SMILESNc1ccc2cnn(C3CCNCC3)c2c1
InChIInChI=1S/C12H16N4/c13-10-2-1-9-8-15-16(12(9)7-10)11-3-5-14-6-4-11/h1-2,7-8,11,14H,3-6,13H2
InChIKeyXJENYLJMRQVYDK-UHFFFAOYSA-N
XLogP1.54
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylindazol-6-amine?
The IUPAC name of 1-piperidin-4-ylindazol-6-amine (CID 67193712) is 1-piperidin-4-ylindazol-6-amine.
What is the SMILES notation for 1-piperidin-4-ylindazol-6-amine?
The canonical SMILES for 1-piperidin-4-ylindazol-6-amine is Nc1ccc2cnn(C3CCNCC3)c2c1.
What is the InChIKey of 1-piperidin-4-ylindazol-6-amine?
The InChIKey is XJENYLJMRQVYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-10-2-1-9-8-15-16(12(9)7-10)11-3-5-14-6-4-11/h1-2,7-8,11,14H,3-6,13H2.
What are the key properties of 1-piperidin-4-ylindazol-6-amine?
1-piperidin-4-ylindazol-6-amine has a molecular weight of 216.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylindazol-6-amine is sourced from PubChem (CID 67193712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).