1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C17H22N2 — CID 84635413

IUPAC1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCc1cc(C)c2c(C3=CCNCC3)c(C)n(C)c2c1
InChIInChI=1S/C17H22N2/c1-11-9-12(2)16-15(10-11)19(4)13(3)17(16)14-5-7-18-8-6-14/h5,9-10,18H,6-8H2,1-4H3
InChIKeyLRWPWRKAHIKBRP-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.48
Rot. Bonds1

About 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 84635413) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID84635413
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCc1cc(C)c2c(C3=CCNCC3)c(C)n(C)c2c1
InChIInChI=1S/C17H22N2/c1-11-9-12(2)16-15(10-11)19(4)13(3)17(16)14-5-7-18-8-6-14/h5,9-10,18H,6-8H2,1-4H3
InChIKeyLRWPWRKAHIKBRP-UHFFFAOYSA-N
XLogP3.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 84635413) is 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is Cc1cc(C)c2c(C3=CCNCC3)c(C)n(C)c2c1.
What is the InChIKey of 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is LRWPWRKAHIKBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-11-9-12(2)16-15(10-11)19(4)13(3)17(16)14-5-7-18-8-6-14/h5,9-10,18H,6-8H2,1-4H3.
What are the key properties of 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 254.38 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6-tetramethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 84635413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).