1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

C21H22N2O — CID 53317861

IUPAC1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCOc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1
InChIInChI=1S/C21H22N2O/c1-24-18-9-7-17(8-10-18)20-15-23(14-16-5-3-2-4-6-16)21-11-12-22-13-19(20)21/h2-10,15,22H,11-14H2,1H3
InChIKeyFPXVQESPUCSARJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.86
Rot. Bonds4

About 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 53317861) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID53317861
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESCOc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1
InChIInChI=1S/C21H22N2O/c1-24-18-9-7-17(8-10-18)20-15-23(14-16-5-3-2-4-6-16)21-11-12-22-13-19(20)21/h2-10,15,22H,11-14H2,1H3
InChIKeyFPXVQESPUCSARJ-UHFFFAOYSA-N
XLogP3.86
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 53317861) is 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is COc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is FPXVQESPUCSARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-24-18-9-7-17(8-10-18)20-15-23(14-16-5-3-2-4-6-16)21-11-12-22-13-19(20)21/h2-10,15,22H,11-14H2,1H3.
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 318.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53317861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).