3,4-dimethyl-1-piperidin-4-ylindazole

C14H19N3 — CID 84692853

IUPAC3,4-dimethyl-1-piperidin-4-ylindazole
SMILESCc1cccc2c1c(C)nn2C1CCNCC1
InChIInChI=1S/C14H19N3/c1-10-4-3-5-13-14(10)11(2)16-17(13)12-6-8-15-9-7-12/h3-5,12,15H,6-9H2,1-2H3
InChIKeyMFVGUYXCGYCFNC-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.58
Rot. Bonds1

About 3,4-dimethyl-1-piperidin-4-ylindazole

3,4-dimethyl-1-piperidin-4-ylindazole (PubChem CID 84692853) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3,4-dimethyl-1-piperidin-4-ylindazole.

Molecular Properties

Compound Name3,4-dimethyl-1-piperidin-4-ylindazole
PubChem CID84692853
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3,4-dimethyl-1-piperidin-4-ylindazole
SMILESCc1cccc2c1c(C)nn2C1CCNCC1
InChIInChI=1S/C14H19N3/c1-10-4-3-5-13-14(10)11(2)16-17(13)12-6-8-15-9-7-12/h3-5,12,15H,6-9H2,1-2H3
InChIKeyMFVGUYXCGYCFNC-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-piperidin-4-ylindazole?
The IUPAC name of 3,4-dimethyl-1-piperidin-4-ylindazole (CID 84692853) is 3,4-dimethyl-1-piperidin-4-ylindazole.
What is the SMILES notation for 3,4-dimethyl-1-piperidin-4-ylindazole?
The canonical SMILES for 3,4-dimethyl-1-piperidin-4-ylindazole is Cc1cccc2c1c(C)nn2C1CCNCC1.
What is the InChIKey of 3,4-dimethyl-1-piperidin-4-ylindazole?
The InChIKey is MFVGUYXCGYCFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-4-3-5-13-14(10)11(2)16-17(13)12-6-8-15-9-7-12/h3-5,12,15H,6-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-piperidin-4-ylindazole?
3,4-dimethyl-1-piperidin-4-ylindazole has a molecular weight of 229.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-piperidin-4-ylindazole is sourced from PubChem (CID 84692853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).