acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine

C23H34F3N3O — CID 156712157

About acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine

acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 156712157) has the molecular formula C23H34F3N3O and a molecular weight of 425.54 g/mol. Its IUPAC name is acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

• Compound Name: acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine
• PubChem CID: 156712157
• Molecular Formula: C23H34F3N3O
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.27
• IUPAC Name: acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine
• SMILES: C#C.CC.COCCN1CCC(Nc2cccc3c2cc(C)n3CC(F)(F)F)CC1
• InChI: InChI=1S/C19H26F3N3O.C2H6.C2H2/c1-14-12-16-17(4-3-5-18(16)25(14)13-19(20,21)22)23-15-6-8-24(9-7-15)10-11-26-2;2*1-2/h3-5,12,15,23H,6-11,13H2,1-2H3;1-2H3;1-2H
• InChIKey: DXILPOOTWRWSGV-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 29.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine?

The IUPAC name of acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 156712157) is acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine.

What is the SMILES notation for acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine?

The canonical SMILES for acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine is C#C.CC.COCCN1CCC(Nc2cccc3c2cc(C)n3CC(F)(F)F)CC1.

What is the InChIKey of acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine?

The InChIKey is DXILPOOTWRWSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O.C2H6.C2H2/c1-14-12-16-17(4-3-5-18(16)25(14)13-19(20,21)22)23-15-6-8-24(9-7-15)10-11-26-2;2*1-2/h3-5,12,15,23H,6-11,13H2,1-2H3;1-2H3;1-2H.

What are the key properties of acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine?

acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 425.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;ethane;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 156712157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).