2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole

C25H32N2O2 — CID 134230741

IUPAC2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2CC(C)C)cc1OC
InChIInChI=1S/C25H32N2O2/c1-16(2)13-21-20-14-18(17-9-11-26-12-10-17)5-7-22(20)27-25(21)19-6-8-23(28-3)24(15-19)29-4/h5-8,14-17,26-27H,9-13H2,1-4H3
InChIKeyQGYGOAPWTDZPMT-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.52
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole

2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole (PubChem CID 134230741) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
PubChem CID134230741
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2CC(C)C)cc1OC
InChIInChI=1S/C25H32N2O2/c1-16(2)13-21-20-14-18(17-9-11-26-12-10-17)5-7-22(20)27-25(21)19-6-8-23(28-3)24(15-19)29-4/h5-8,14-17,26-27H,9-13H2,1-4H3
InChIKeyQGYGOAPWTDZPMT-UHFFFAOYSA-N
XLogP5.52
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole (CID 134230741) is 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole is COc1ccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2CC(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole?
The InChIKey is QGYGOAPWTDZPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-16(2)13-21-20-14-18(17-9-11-26-12-10-17)5-7-22(20)27-25(21)19-6-8-23(28-3)24(15-19)29-4/h5-8,14-17,26-27H,9-13H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole?
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole has a molecular weight of 392.54 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole is sourced from PubChem (CID 134230741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).