1-methyl-3-(piperidin-4-ylmethyl)indazole

C14H19N3 — CID 84692872

IUPAC1-methyl-3-(piperidin-4-ylmethyl)indazole
SMILESCn1nc(CC2CCNCC2)c2ccccc21
InChIInChI=1S/C14H19N3/c1-17-14-5-3-2-4-12(14)13(16-17)10-11-6-8-15-9-7-11/h2-5,11,15H,6-10H2,1H3
InChIKeyBEDMWQWXOURELV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.12
Rot. Bonds2

About 1-methyl-3-(piperidin-4-ylmethyl)indazole

1-methyl-3-(piperidin-4-ylmethyl)indazole (PubChem CID 84692872) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-4-ylmethyl)indazole.

Molecular Properties

Compound Name1-methyl-3-(piperidin-4-ylmethyl)indazole
PubChem CID84692872
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-methyl-3-(piperidin-4-ylmethyl)indazole
SMILESCn1nc(CC2CCNCC2)c2ccccc21
InChIInChI=1S/C14H19N3/c1-17-14-5-3-2-4-12(14)13(16-17)10-11-6-8-15-9-7-11/h2-5,11,15H,6-10H2,1H3
InChIKeyBEDMWQWXOURELV-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-4-ylmethyl)indazole?
The IUPAC name of 1-methyl-3-(piperidin-4-ylmethyl)indazole (CID 84692872) is 1-methyl-3-(piperidin-4-ylmethyl)indazole.
What is the SMILES notation for 1-methyl-3-(piperidin-4-ylmethyl)indazole?
The canonical SMILES for 1-methyl-3-(piperidin-4-ylmethyl)indazole is Cn1nc(CC2CCNCC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(piperidin-4-ylmethyl)indazole?
The InChIKey is BEDMWQWXOURELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-14-5-3-2-4-12(14)13(16-17)10-11-6-8-15-9-7-11/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-methyl-3-(piperidin-4-ylmethyl)indazole?
1-methyl-3-(piperidin-4-ylmethyl)indazole has a molecular weight of 229.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperidin-4-ylmethyl)indazole is sourced from PubChem (CID 84692872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).