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

C14H19N3 — CID 82512943

IUPAC3-methyl-1-(piperidin-3-ylmethyl)indazole
SMILESCc1nn(CC2CCCNC2)c2ccccc12
InChIInChI=1S/C14H19N3/c1-11-13-6-2-3-7-14(13)17(16-11)10-12-5-4-8-15-9-12/h2-3,6-7,12,15H,4-5,8-10H2,1H3
InChIKeyAIKPVDYJHISLLY-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.34
Rot. Bonds2

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

3-methyl-1-(piperidin-3-ylmethyl)indazole (PubChem CID 82512943) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-methyl-1-(piperidin-3-ylmethyl)indazole.

Molecular Properties

Compound Name3-methyl-1-(piperidin-3-ylmethyl)indazole
PubChem CID82512943
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-methyl-1-(piperidin-3-ylmethyl)indazole
SMILESCc1nn(CC2CCCNC2)c2ccccc12
InChIInChI=1S/C14H19N3/c1-11-13-6-2-3-7-14(13)17(16-11)10-12-5-4-8-15-9-12/h2-3,6-7,12,15H,4-5,8-10H2,1H3
InChIKeyAIKPVDYJHISLLY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(piperidin-2-ylmethyl)indazole
CID 84793021
3-methyl-1-(2-piperidin-4-ylethyl)indazole
CID 82513483
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
1-(2-piperidin-3-ylethyl)cinnolin-4-one
CID 62356873
7-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)indazole
CID 84796113
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
3-[(5-phenyltriazol-1-yl)methyl]piperidine
CID 115044790
1-[(6-cyclobutyl-2-pyridinyl)methyl]-3-methylindazole
CID 141439021
3-[(4-methylimidazol-1-yl)methyl]azepane
CID 18712989
3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
CID 62357214

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperidin-3-ylmethyl)indazole?
The IUPAC name of 3-methyl-1-(piperidin-3-ylmethyl)indazole (CID 82512943) is 3-methyl-1-(piperidin-3-ylmethyl)indazole.
What is the SMILES notation for 3-methyl-1-(piperidin-3-ylmethyl)indazole?
The canonical SMILES for 3-methyl-1-(piperidin-3-ylmethyl)indazole is Cc1nn(CC2CCCNC2)c2ccccc12.
What is the InChIKey of 3-methyl-1-(piperidin-3-ylmethyl)indazole?
The InChIKey is AIKPVDYJHISLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-13-6-2-3-7-14(13)17(16-11)10-12-5-4-8-15-9-12/h2-3,6-7,12,15H,4-5,8-10H2,1H3.
What are the key properties of 3-methyl-1-(piperidin-3-ylmethyl)indazole?
3-methyl-1-(piperidin-3-ylmethyl)indazole has a molecular weight of 229.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperidin-3-ylmethyl)indazole is sourced from PubChem (CID 82512943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).