2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine

C25H33N3O — CID 174404581

IUPAC2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(C=CN2CCC(N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H33N3O/c1-26(2)19-20-29-24-9-7-21(8-10-24)11-15-27-16-13-23(14-17-27)28-18-12-22-5-3-4-6-25(22)28/h3-11,15,23H,12-14,16-20H2,1-2H3
InChIKeyYEPAFTPTRFVVPA-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.12
Rot. Bonds7

About 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine

2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 174404581) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine
PubChem CID174404581
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(C=CN2CCC(N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C25H33N3O/c1-26(2)19-20-29-24-9-7-21(8-10-24)11-15-27-16-13-23(14-17-27)28-18-12-22-5-3-4-6-25(22)28/h3-11,15,23H,12-14,16-20H2,1-2H3
InChIKeyYEPAFTPTRFVVPA-UHFFFAOYSA-N
XLogP4.12
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine 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-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine (CID 174404581) is 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(C=CN2CCC(N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is YEPAFTPTRFVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-26(2)19-20-29-24-9-7-21(8-10-24)11-15-27-16-13-23(14-17-27)28-18-12-22-5-3-4-6-25(22)28/h3-11,15,23H,12-14,16-20H2,1-2H3.
What are the key properties of 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine?
2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 391.56 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethenyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 174404581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).