2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine

C26H35N3O2 — CID 134230602

IUPAC2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3c(c2)c(C)c(-c2ccc(OC)c(OC)c2)n3C)CC1
InChIInChI=1S/C26H35N3O2/c1-18-22-16-20(19-10-13-29(14-11-19)15-12-27-2)6-8-23(22)28(3)26(18)21-7-9-24(30-4)25(17-21)31-5/h6-9,16-17,19,27H,10-15H2,1-5H3
InChIKeyBURIGXCCUMGPAA-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.57
Rot. Bonds7

About 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 134230602) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID134230602
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3c(c2)c(C)c(-c2ccc(OC)c(OC)c2)n3C)CC1
InChIInChI=1S/C26H35N3O2/c1-18-22-16-20(19-10-13-29(14-11-19)15-12-27-2)6-8-23(22)28(3)26(18)21-7-9-24(30-4)25(17-21)31-5/h6-9,16-17,19,27H,10-15H2,1-5H3
InChIKeyBURIGXCCUMGPAA-UHFFFAOYSA-N
XLogP4.57
TPSA38.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine with MolForge

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Related Compounds

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Ammtc
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 134230602) is 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3c(c2)c(C)c(-c2ccc(OC)c(OC)c2)n3C)CC1.
What is the InChIKey of 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is BURIGXCCUMGPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-18-22-16-20(19-10-13-29(14-11-19)15-12-27-2)6-8-23(22)28(3)26(18)21-7-9-24(30-4)25(17-21)31-5/h6-9,16-17,19,27H,10-15H2,1-5H3.
What are the key properties of 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 421.59 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dimethoxyphenyl)-1,3-dimethylindol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 134230602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).