2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride

C19H29Cl2F3N4O — CID 154892703

About 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride

2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride (PubChem CID 154892703) has the molecular formula C19H29Cl2F3N4O and a molecular weight of 457.37 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride
• PubChem CID: 154892703
• Molecular Formula: C19H29Cl2F3N4O
• Molecular Weight: 457.37 g/mol
• Exact Mass: 456.17
• IUPAC Name: 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride
• SMILES: CNCC(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.Cl.Cl
• InChI: InChI=1S/C19H27F3N4O.2ClH/c1-23-13-18(27)26-7-3-6-17(14-26)25-10-8-24(9-11-25)16-5-2-4-15(12-16)19(20,21)22;;/h2,4-5,12,17,23H,3,6-11,13-14H2,1H3;2*1H
• InChIKey: FHZDSKYCZWOAMZ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.37
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride?

The IUPAC name of 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride (CID 154892703) is 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride.

What is the SMILES notation for 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride?

The canonical SMILES for 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride is CNCC(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.Cl.Cl.

What is the InChIKey of 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride?

The InChIKey is FHZDSKYCZWOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O.2ClH/c1-23-13-18(27)26-7-3-6-17(14-26)25-10-8-24(9-11-25)16-5-2-4-15(12-16)19(20,21)22;;/h2,4-5,12,17,23H,3,6-11,13-14H2,1H3;2*1H.

What are the key properties of 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride?

2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride has a molecular weight of 457.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 154892703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).