5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C18H22N2O2 — CID 10379945

IUPAC5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCN1CC=C(c2c[nH]c3ccc(C4COCCO4)cc23)CC1
InChIInChI=1S/C18H22N2O2/c1-20-6-4-13(5-7-20)16-11-19-17-3-2-14(10-15(16)17)18-12-21-8-9-22-18/h2-4,10-11,18-19H,5-9,12H2,1H3
InChIKeyOTHCNVXZGXFCNW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.97
Rot. Bonds2

About 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 10379945) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID10379945
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCN1CC=C(c2c[nH]c3ccc(C4COCCO4)cc23)CC1
InChIInChI=1S/C18H22N2O2/c1-20-6-4-13(5-7-20)16-11-19-17-3-2-14(10-15(16)17)18-12-21-8-9-22-18/h2-4,10-11,18-19H,5-9,12H2,1H3
InChIKeyOTHCNVXZGXFCNW-UHFFFAOYSA-N
XLogP2.97
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole with MolForge

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Related Compounds

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(1H-indol-5-yl)methanol
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1-(1H-indol-3-yl)ethane-1,2-diol
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5-(Hydroxymethyl)-11-methyl-6H-pyrido(4,3-b)carbazole N-methylcarbamate
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5-{3,4,5-Tris-benzyloxy-6-[2-(1H-indol-3-yl)-ethoxy]-tetrahydro-pyran-2-ylmethoxy}-pentylamine
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5-{(2R,3S,5R,6R)-3,5-Bis-benzyloxy-6-[2-(1H-indol-3-yl)-ethoxy]-tetrahydro-pyran-2-ylmethoxy}-pentylamine
CID 9985523
(2S,3R,4R,5S,6R)-2-(3-(4-ethylbenzyl)-1H-indol-5-yl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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cis-(3R,6R)-(6-benzhydryl-tetrahydropyran-3-yl)-(1H-indol-5-ylmethyl)amine
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cis-(3S-6S)-(6-benzhydryl-tetrahydropyran-3-yl)-(1H-indol-5-ylmethyl)amine
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CID 14254830

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 10379945) is 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is CN1CC=C(c2c[nH]c3ccc(C4COCCO4)cc23)CC1.
What is the InChIKey of 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is OTHCNVXZGXFCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-20-6-4-13(5-7-20)16-11-19-17-3-2-14(10-15(16)17)18-12-21-8-9-22-18/h2-4,10-11,18-19H,5-9,12H2,1H3.
What are the key properties of 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 298.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxan-2-yl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 10379945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).