5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole

C14H16N2O — CID 108029

IUPAC5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCOC1=CC2=C(C=C1)NC=C2C3=CCNCC3
InChIInChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyKRVMLPUDAOWOGN-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.80
Rot. Bonds2

About 5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole

5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole (PubChem CID 108029) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
PubChem CID108029
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESCOC1=CC2=C(C=C1)NC=C2C3=CCNCC3
InChIInChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
InChIKeyKRVMLPUDAOWOGN-UHFFFAOYSA-N
XLogP1.80
TPSA37.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity303

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole?
The IUPAC name of 5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole (CID 108029) is 5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole?
The canonical SMILES for 5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole is COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.
What is the InChIKey of 5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole?
The InChIKey is KRVMLPUDAOWOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3.
What are the key properties of 5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole?
5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole has a molecular weight of 228.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole is sourced from PubChem (CID 108029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).