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

C14H16N2 — CID 3245407

IUPAC2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1[nH]c2ccccc2c1C1=CCNCC1
InChIInChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
InChIKeyJLVLNPGKFHWCCQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.85
Rot. Bonds1

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

2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 3245407) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID3245407
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCc1[nH]c2ccccc2c1C1=CCNCC1
InChIInChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
InChIKeyJLVLNPGKFHWCCQ-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 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 3245407) is 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is Cc1[nH]c2ccccc2c1C1=CCNCC1.
What is the InChIKey of 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is JLVLNPGKFHWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3.
What are the key properties of 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
2-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 2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 3245407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).