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

C22H26N2O2 — CID 134230409

IUPAC2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C)cc1OC
InChIInChI=1S/C22H26N2O2/c1-14-18-12-16(15-8-10-23-11-9-15)4-6-19(18)24-22(14)17-5-7-20(25-2)21(13-17)26-3/h4-7,12-13,15,23-24H,8-11H2,1-3H3
InChIKeyBYXCSQIDOXYWDS-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.63
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole (PubChem CID 134230409) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole
PubChem CID134230409
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole
SMILESCOc1ccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C)cc1OC
InChIInChI=1S/C22H26N2O2/c1-14-18-12-16(15-8-10-23-11-9-15)4-6-19(18)24-22(14)17-5-7-20(25-2)21(13-17)26-3/h4-7,12-13,15,23-24H,8-11H2,1-3H3
InChIKeyBYXCSQIDOXYWDS-UHFFFAOYSA-N
XLogP4.63
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.63
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-methyl-5-piperidin-4-yl-1H-indole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole (CID 134230409) is 2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole is COc1ccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole?
The InChIKey is BYXCSQIDOXYWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14-18-12-16(15-8-10-23-11-9-15)4-6-19(18)24-22(14)17-5-7-20(25-2)21(13-17)26-3/h4-7,12-13,15,23-24H,8-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole?
2-(3,4-dimethoxyphenyl)-3-methyl-5-piperidin-4-yl-1H-indole has a molecular weight of 350.46 g/mol, XLogP of 4.63, 4 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-methyl-5-piperidin-4-yl-1H-indole is sourced from PubChem (CID 134230409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).