5-methyl-2-(1-methylpiperidin-4-yl)indazole

C14H19N3 — CID 164997785

IUPAC5-methyl-2-(1-methylpiperidin-4-yl)indazole
SMILESCc1ccc2nn(C3CCN(C)CC3)cc2c1
InChIInChI=1S/C14H19N3/c1-11-3-4-14-12(9-11)10-17(15-14)13-5-7-16(2)8-6-13/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyHOLIPAVUAXNUPW-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.61
Rot. Bonds1

About 5-methyl-2-(1-methylpiperidin-4-yl)indazole

5-methyl-2-(1-methylpiperidin-4-yl)indazole (PubChem CID 164997785) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpiperidin-4-yl)indazole.

Molecular Properties

Compound Name5-methyl-2-(1-methylpiperidin-4-yl)indazole
PubChem CID164997785
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-methyl-2-(1-methylpiperidin-4-yl)indazole
SMILESCc1ccc2nn(C3CCN(C)CC3)cc2c1
InChIInChI=1S/C14H19N3/c1-11-3-4-14-12(9-11)10-17(15-14)13-5-7-16(2)8-6-13/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyHOLIPAVUAXNUPW-UHFFFAOYSA-N
XLogP2.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)indazole?
The IUPAC name of 5-methyl-2-(1-methylpiperidin-4-yl)indazole (CID 164997785) is 5-methyl-2-(1-methylpiperidin-4-yl)indazole.
What is the SMILES notation for 5-methyl-2-(1-methylpiperidin-4-yl)indazole?
The canonical SMILES for 5-methyl-2-(1-methylpiperidin-4-yl)indazole is Cc1ccc2nn(C3CCN(C)CC3)cc2c1.
What is the InChIKey of 5-methyl-2-(1-methylpiperidin-4-yl)indazole?
The InChIKey is HOLIPAVUAXNUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-3-4-14-12(9-11)10-17(15-14)13-5-7-16(2)8-6-13/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylpiperidin-4-yl)indazole?
5-methyl-2-(1-methylpiperidin-4-yl)indazole has a molecular weight of 229.33 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpiperidin-4-yl)indazole is sourced from PubChem (CID 164997785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).