1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine

C33H39F3N4O — CID 129193442

IUPAC1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine
SMILESCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4cccc(C)c4)CC3)cc12
InChIInChI=1S/C33H39F3N4O/c1-3-25-20-28(41-33(34,35)36)9-10-29(25)31-22-40(15-5-14-37)32-11-8-24(19-30(31)32)21-39-16-12-26(13-17-39)38-27-7-4-6-23(2)18-27/h4,6-11,18-20,22,26,38H,3,5,12-17,21,37H2,1-2H3
InChIKeyCASPZHQSUWHWOH-UHFFFAOYSA-N
MW564.70 g/mol
LogP7.50
Rot. Bonds10

About 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine

1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine (PubChem CID 129193442) has the molecular formula C33H39F3N4O and a molecular weight of 564.70 g/mol. Its IUPAC name is 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine
PubChem CID129193442
Molecular FormulaC33H39F3N4O
Molecular Weight564.70 g/mol
Exact Mass564.31
IUPAC Name1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine
SMILESCCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4cccc(C)c4)CC3)cc12
InChIInChI=1S/C33H39F3N4O/c1-3-25-20-28(41-33(34,35)36)9-10-29(25)31-22-40(15-5-14-37)32-11-8-24(19-30(31)32)21-39-16-12-26(13-17-39)38-27-7-4-6-23(2)18-27/h4,6-11,18-20,22,26,38H,3,5,12-17,21,37H2,1-2H3
InChIKeyCASPZHQSUWHWOH-UHFFFAOYSA-N
XLogP7.50
TPSA55.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.70
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine 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 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine (CID 129193442) is 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine is CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Nc4cccc(C)c4)CC3)cc12.
What is the InChIKey of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine?
The InChIKey is CASPZHQSUWHWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39F3N4O/c1-3-25-20-28(41-33(34,35)36)9-10-29(25)31-22-40(15-5-14-37)32-11-8-24(19-30(31)32)21-39-16-12-26(13-17-39)38-27-7-4-6-23(2)18-27/h4,6-11,18-20,22,26,38H,3,5,12-17,21,37H2,1-2H3.
What are the key properties of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine?
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine has a molecular weight of 564.70 g/mol, XLogP of 7.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 129193442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).