3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole

C29H32N2O — CID 11430193

IUPAC3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole
SMILESCOc1cccc(-c2[nH]c3ccccc3c2CN2CCC(c3c(C)cccc3C)CC2)c1
InChIInChI=1S/C29H32N2O/c1-20-8-6-9-21(2)28(20)22-14-16-31(17-15-22)19-26-25-12-4-5-13-27(25)30-29(26)23-10-7-11-24(18-23)32-3/h4-13,18,22,30H,14-17,19H2,1-3H3
InChIKeyDGYCIZJIBMCPPE-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.84
Rot. Bonds5

About 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole

3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole (PubChem CID 11430193) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole.

Molecular Properties

Compound Name3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole
PubChem CID11430193
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole
SMILESCOc1cccc(-c2[nH]c3ccccc3c2CN2CCC(c3c(C)cccc3C)CC2)c1
InChIInChI=1S/C29H32N2O/c1-20-8-6-9-21(2)28(20)22-14-16-31(17-15-22)19-26-25-12-4-5-13-27(25)30-29(26)23-10-7-11-24(18-23)32-3/h4-13,18,22,30H,14-17,19H2,1-3H3
InChIKeyDGYCIZJIBMCPPE-UHFFFAOYSA-N
XLogP6.84
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole?
The IUPAC name of 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole (CID 11430193) is 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole.
What is the SMILES notation for 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole?
The canonical SMILES for 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole is COc1cccc(-c2[nH]c3ccccc3c2CN2CCC(c3c(C)cccc3C)CC2)c1.
What is the InChIKey of 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole?
The InChIKey is DGYCIZJIBMCPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-20-8-6-9-21(2)28(20)22-14-16-31(17-15-22)19-26-25-12-4-5-13-27(25)30-29(26)23-10-7-11-24(18-23)32-3/h4-13,18,22,30H,14-17,19H2,1-3H3.
What are the key properties of 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole?
3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole has a molecular weight of 424.59 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1H-indole is sourced from PubChem (CID 11430193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).