3-methyl-6-piperidin-4-yloxy-2H-indazole

C13H17N3O — CID 84694870

IUPAC3-methyl-6-piperidin-4-yloxy-2H-indazole
SMILESCc1[nH]nc2cc(OC3CCNCC3)ccc12
InChIInChI=1S/C13H17N3O/c1-9-12-3-2-11(8-13(12)16-15-9)17-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16)
InChIKeyXDPXLZONKVJJET-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds2

About 3-methyl-6-piperidin-4-yloxy-2H-indazole

3-methyl-6-piperidin-4-yloxy-2H-indazole (PubChem CID 84694870) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methyl-6-piperidin-4-yloxy-2H-indazole.

Molecular Properties

Compound Name3-methyl-6-piperidin-4-yloxy-2H-indazole
PubChem CID84694870
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-methyl-6-piperidin-4-yloxy-2H-indazole
SMILESCc1[nH]nc2cc(OC3CCNCC3)ccc12
InChIInChI=1S/C13H17N3O/c1-9-12-3-2-11(8-13(12)16-15-9)17-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16)
InChIKeyXDPXLZONKVJJET-UHFFFAOYSA-N
XLogP2.00
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperidin-4-yloxy-2H-indazole?
The IUPAC name of 3-methyl-6-piperidin-4-yloxy-2H-indazole (CID 84694870) is 3-methyl-6-piperidin-4-yloxy-2H-indazole.
What is the SMILES notation for 3-methyl-6-piperidin-4-yloxy-2H-indazole?
The canonical SMILES for 3-methyl-6-piperidin-4-yloxy-2H-indazole is Cc1[nH]nc2cc(OC3CCNCC3)ccc12.
What is the InChIKey of 3-methyl-6-piperidin-4-yloxy-2H-indazole?
The InChIKey is XDPXLZONKVJJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-12-3-2-11(8-13(12)16-15-9)17-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16).
What are the key properties of 3-methyl-6-piperidin-4-yloxy-2H-indazole?
3-methyl-6-piperidin-4-yloxy-2H-indazole has a molecular weight of 231.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperidin-4-yloxy-2H-indazole is sourced from PubChem (CID 84694870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).