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

C17H22N2O — CID 83197572

IUPAC1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCOCCCn1cc(C2=CCNCC2)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-20-12-4-11-19-13-16(14-7-9-18-10-8-14)15-5-2-3-6-17(15)19/h2-3,5-7,13,18H,4,8-12H2,1H3
InChIKeyDEEAAMSUZKHQQQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.05
Rot. Bonds5

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

1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 83197572) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID83197572
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCOCCCn1cc(C2=CCNCC2)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-20-12-4-11-19-13-16(14-7-9-18-10-8-14)15-5-2-3-6-17(15)19/h2-3,5-7,13,18H,4,8-12H2,1H3
InChIKeyDEEAAMSUZKHQQQ-UHFFFAOYSA-N
XLogP3.05
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 83197572) is 1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is COCCCn1cc(C2=CCNCC2)c2ccccc21.
What is the InChIKey of 1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is DEEAAMSUZKHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-12-4-11-19-13-16(14-7-9-18-10-8-14)15-5-2-3-6-17(15)19/h2-3,5-7,13,18H,4,8-12H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 270.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 83197572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).