3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole

C16H23N3O — CID 126485947

IUPAC3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole
SMILESCOCCc1nn(C2CCNCC2)c2ccc(C)cc12
InChIInChI=1S/C16H23N3O/c1-12-3-4-16-14(11-12)15(7-10-20-2)18-19(16)13-5-8-17-9-6-13/h3-4,11,13,17H,5-10H2,1-2H3
InChIKeyQDKJHFLJPMTLAK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole

3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole (PubChem CID 126485947) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole
PubChem CID126485947
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole
SMILESCOCCc1nn(C2CCNCC2)c2ccc(C)cc12
InChIInChI=1S/C16H23N3O/c1-12-3-4-16-14(11-12)15(7-10-20-2)18-19(16)13-5-8-17-9-6-13/h3-4,11,13,17H,5-10H2,1-2H3
InChIKeyQDKJHFLJPMTLAK-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole?
The IUPAC name of 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole (CID 126485947) is 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole is COCCc1nn(C2CCNCC2)c2ccc(C)cc12.
What is the InChIKey of 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole?
The InChIKey is QDKJHFLJPMTLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-3-4-16-14(11-12)15(7-10-20-2)18-19(16)13-5-8-17-9-6-13/h3-4,11,13,17H,5-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole?
3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole has a molecular weight of 273.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-methyl-1-piperidin-4-ylindazole is sourced from PubChem (CID 126485947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).