6-piperidin-1-yl-2H-indazole-3-carbaldehyde

C13H15N3O — CID 82391057

IUPAC6-piperidin-1-yl-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(N3CCCCC3)ccc12
InChIInChI=1S/C13H15N3O/c17-9-13-11-5-4-10(8-12(11)14-15-13)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,14,15)
InChIKeyBPTSZQHAHLEFMB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.37
Rot. Bonds2

About 6-piperidin-1-yl-2H-indazole-3-carbaldehyde

6-piperidin-1-yl-2H-indazole-3-carbaldehyde (PubChem CID 82391057) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-piperidin-1-yl-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name6-piperidin-1-yl-2H-indazole-3-carbaldehyde
PubChem CID82391057
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-piperidin-1-yl-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(N3CCCCC3)ccc12
InChIInChI=1S/C13H15N3O/c17-9-13-11-5-4-10(8-12(11)14-15-13)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,14,15)
InChIKeyBPTSZQHAHLEFMB-UHFFFAOYSA-N
XLogP2.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-2H-indazole-3-carbaldehyde?
The IUPAC name of 6-piperidin-1-yl-2H-indazole-3-carbaldehyde (CID 82391057) is 6-piperidin-1-yl-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 6-piperidin-1-yl-2H-indazole-3-carbaldehyde?
The canonical SMILES for 6-piperidin-1-yl-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2cc(N3CCCCC3)ccc12.
What is the InChIKey of 6-piperidin-1-yl-2H-indazole-3-carbaldehyde?
The InChIKey is BPTSZQHAHLEFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-9-13-11-5-4-10(8-12(11)14-15-13)16-6-2-1-3-7-16/h4-5,8-9H,1-3,6-7H2,(H,14,15).
What are the key properties of 6-piperidin-1-yl-2H-indazole-3-carbaldehyde?
6-piperidin-1-yl-2H-indazole-3-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 82391057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).