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

C20H20N2 — CID 6618861

IUPAC3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
InChIKeyTYKXLUMYKFFSJE-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.46
Rot. Bonds3

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

3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 6618861) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID6618861
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2
InChIKeyTYKXLUMYKFFSJE-UHFFFAOYSA-N
XLogP4.46
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 6618861) is 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is C1=C(c2c[nH]c3ccccc23)CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is TYKXLUMYKFFSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-10,14,21H,11-13,15H2.
What are the key properties of 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 288.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 6618861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).