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

C26H35N3O2 — CID 134230611

IUPAC2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C3CCN(CCNC)CC3)cc12
InChIInChI=1S/C26H35N3O2/c1-5-21-22-16-19(18-10-13-29(14-11-18)15-12-27-2)6-8-23(22)28-26(21)20-7-9-24(30-3)25(17-20)31-4/h6-9,16-18,27-28H,5,10-15H2,1-4H3
InChIKeyPKYFJFXBQWQBFJ-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.81
Rot. Bonds8

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

2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 134230611) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID134230611
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C3CCN(CCNC)CC3)cc12
InChIInChI=1S/C26H35N3O2/c1-5-21-22-16-19(18-10-13-29(14-11-18)15-12-27-2)6-8-23(22)28-26(21)20-7-9-24(30-3)25(17-20)31-4/h6-9,16-18,27-28H,5,10-15H2,1-4H3
InChIKeyPKYFJFXBQWQBFJ-UHFFFAOYSA-N
XLogP4.81
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 134230611) is 2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C3CCN(CCNC)CC3)cc12.
What is the InChIKey of 2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is PKYFJFXBQWQBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-5-21-22-16-19(18-10-13-29(14-11-18)15-12-27-2)6-8-23(22)28-26(21)20-7-9-24(30-3)25(17-20)31-4/h6-9,16-18,27-28H,5,10-15H2,1-4H3.
What are the key properties of 2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 421.59 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 134230611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).