1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

C21H22N2 — CID 563919

IUPAC1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C21H22N2/c1-22-13-11-18(12-14-22)20-16-23(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-11,16H,12-15H2,1H3
InChIKeyJCCNEBIRCTWQEL-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.41
Rot. Bonds3

About 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (PubChem CID 563919) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.

Molecular Properties

Compound Name1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
PubChem CID563919
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(Cc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C21H22N2/c1-22-13-11-18(12-14-22)20-16-23(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-11,16H,12-15H2,1H3
InChIKeyJCCNEBIRCTWQEL-UHFFFAOYSA-N
XLogP4.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The IUPAC name of 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (CID 563919) is 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.
What is the SMILES notation for 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The canonical SMILES for 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is CN1CC=C(c2cn(Cc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The InChIKey is JCCNEBIRCTWQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-22-13-11-18(12-14-22)20-16-23(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-11,16H,12-15H2,1H3.
What are the key properties of 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole has a molecular weight of 302.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is sourced from PubChem (CID 563919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).