2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole

C14H16N2 — CID 176569773

IUPAC2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole
SMILESC[C@H]1C=C(c2cc3ccccc3[nH]2)CNC1
InChIInChI=1S/C14H16N2/c1-10-6-12(9-15-8-10)14-7-11-4-2-3-5-13(11)16-14/h2-7,10,15-16H,8-9H2,1H3/t10-/m0/s1
InChIKeyFMTGQHJXKOHJRA-JTQLQIEISA-N
MW212.30 g/mol
LogP2.79
Rot. Bonds1

About 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole

2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole (PubChem CID 176569773) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole.

Molecular Properties

Compound Name2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole
PubChem CID176569773
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole
SMILESC[C@H]1C=C(c2cc3ccccc3[nH]2)CNC1
InChIInChI=1S/C14H16N2/c1-10-6-12(9-15-8-10)14-7-11-4-2-3-5-13(11)16-14/h2-7,10,15-16H,8-9H2,1H3/t10-/m0/s1
InChIKeyFMTGQHJXKOHJRA-JTQLQIEISA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole?
The IUPAC name of 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole (CID 176569773) is 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole.
What is the SMILES notation for 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole?
The canonical SMILES for 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole is C[C@H]1C=C(c2cc3ccccc3[nH]2)CNC1.
What is the InChIKey of 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole?
The InChIKey is FMTGQHJXKOHJRA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2/c1-10-6-12(9-15-8-10)14-7-11-4-2-3-5-13(11)16-14/h2-7,10,15-16H,8-9H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole?
2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole has a molecular weight of 212.30 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1H-indole is sourced from PubChem (CID 176569773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).