7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C14H16N2 — CID 11310393

IUPAC7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1cccc2c(C3=CCNCC3)c[nH]c12
InChIInChI=1S/C14H16N2/c1-10-3-2-4-12-13(9-16-14(10)12)11-5-7-15-8-6-11/h2-5,9,15-16H,6-8H2,1H3
InChIKeyQVHVZVRAGSJGIQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.85
Rot. Bonds1

About 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 11310393) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID11310393
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1cccc2c(C3=CCNCC3)c[nH]c12
InChIInChI=1S/C14H16N2/c1-10-3-2-4-12-13(9-16-14(10)12)11-5-7-15-8-6-11/h2-5,9,15-16H,6-8H2,1H3
InChIKeyQVHVZVRAGSJGIQ-UHFFFAOYSA-N
XLogP2.85
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 11310393) is 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is Cc1cccc2c(C3=CCNCC3)c[nH]c12.
What is the InChIKey of 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is QVHVZVRAGSJGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-3-2-4-12-13(9-16-14(10)12)11-5-7-15-8-6-11/h2-5,9,15-16H,6-8H2,1H3.
What are the key properties of 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 212.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 11310393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).