2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine

C21H25N3O2 — CID 162736272

IUPAC2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine
SMILESCOc1ccc(-c2cc3cnc(C4CCNCC4)cc3n2C)cc1OC
InChIInChI=1S/C21H25N3O2/c1-24-18(15-4-5-20(25-2)21(11-15)26-3)10-16-13-23-17(12-19(16)24)14-6-8-22-9-7-14/h4-5,10-14,22H,6-9H2,1-3H3
InChIKeyFSYYXGMFWQEZEZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.72
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine

2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine (PubChem CID 162736272) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine
PubChem CID162736272
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine
SMILESCOc1ccc(-c2cc3cnc(C4CCNCC4)cc3n2C)cc1OC
InChIInChI=1S/C21H25N3O2/c1-24-18(15-4-5-20(25-2)21(11-15)26-3)10-16-13-23-17(12-19(16)24)14-6-8-22-9-7-14/h4-5,10-14,22H,6-9H2,1-3H3
InChIKeyFSYYXGMFWQEZEZ-UHFFFAOYSA-N
XLogP3.72
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine (CID 162736272) is 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine is COc1ccc(-c2cc3cnc(C4CCNCC4)cc3n2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine?
The InChIKey is FSYYXGMFWQEZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24-18(15-4-5-20(25-2)21(11-15)26-3)10-16-13-23-17(12-19(16)24)14-6-8-22-9-7-14/h4-5,10-14,22H,6-9H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine?
2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine has a molecular weight of 351.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-methyl-6-piperidin-4-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 162736272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).