1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole

C21H27N3 — CID 174391233

IUPAC1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole
SMILESCCN1CCC(N2CCc3ccc(Cc4ccncc4)cc32)CC1
InChIInChI=1S/C21H27N3/c1-2-23-12-8-20(9-13-23)24-14-7-19-4-3-18(16-21(19)24)15-17-5-10-22-11-6-17/h3-6,10-11,16,20H,2,7-9,12-15H2,1H3
InChIKeyIYEFUFNNVJGGJZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.52
Rot. Bonds4

About 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole

1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole (PubChem CID 174391233) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole
PubChem CID174391233
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole
SMILESCCN1CCC(N2CCc3ccc(Cc4ccncc4)cc32)CC1
InChIInChI=1S/C21H27N3/c1-2-23-12-8-20(9-13-23)24-14-7-19-4-3-18(16-21(19)24)15-17-5-10-22-11-6-17/h3-6,10-11,16,20H,2,7-9,12-15H2,1H3
InChIKeyIYEFUFNNVJGGJZ-UHFFFAOYSA-N
XLogP3.52
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole (CID 174391233) is 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole is CCN1CCC(N2CCc3ccc(Cc4ccncc4)cc32)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole?
The InChIKey is IYEFUFNNVJGGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-2-23-12-8-20(9-13-23)24-14-7-19-4-3-18(16-21(19)24)15-17-5-10-22-11-6-17/h3-6,10-11,16,20H,2,7-9,12-15H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole?
1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole has a molecular weight of 321.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 174391233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).