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

C13H14N2 — CID 2761023

IUPAC3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCNC1
InChIInChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
InChIKeyCIRSPTXGPFAXRE-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.54
Rot. Bonds1

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

3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 2761023) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID2761023
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CCNC1
InChIInChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
InChIKeyCIRSPTXGPFAXRE-UHFFFAOYSA-N
XLogP2.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 2761023) is 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is C1=C(c2c[nH]c3ccccc23)CCNC1.
What is the InChIKey of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is CIRSPTXGPFAXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2.
What are the key properties of 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 198.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 2761023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).