1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride

C21H27Cl2F3N2O2 — CID 171280875

About 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride

1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (PubChem CID 171280875) has the molecular formula C21H27Cl2F3N2O2 and a molecular weight of 467.36 g/mol. Its IUPAC name is 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.

Molecular Properties

• Compound Name: 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
• PubChem CID: 171280875
• Molecular Formula: C21H27Cl2F3N2O2
• Molecular Weight: 467.36 g/mol
• Exact Mass: 466.14
• IUPAC Name: 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
• SMILES: CC(C)Oc1ccc([C@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1.Cl.Cl
• InChI: InChI=1S/C21H25F3N2O2.2ClH/c1-15(2)27-18-7-3-16(4-8-18)20(26-13-11-25-12-14-26)17-5-9-19(10-6-17)28-21(22,23)24;;/h3-10,15,20,25H,11-14H2,1-2H3;2*1H/t20-;;/m1../s1
• InChIKey: GVJJBKMPEHYPLP-FAVHNTAZSA-N
• XLogP: 5.21
• TPSA: 33.73 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	467.36
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

The IUPAC name of 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride (CID 171280875) is 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride.

What is the SMILES notation for 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

The canonical SMILES for 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is CC(C)Oc1ccc([C@H](c2ccc(OC(F)(F)F)cc2)N2CCNCC2)cc1.Cl.Cl.

What is the InChIKey of 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

The InChIKey is GVJJBKMPEHYPLP-FAVHNTAZSA-N. The full InChI is InChI=1S/C21H25F3N2O2.2ClH/c1-15(2)27-18-7-3-16(4-8-18)20(26-13-11-25-12-14-26)17-5-9-19(10-6-17)28-21(22,23)24;;/h3-10,15,20,25H,11-14H2,1-2H3;2*1H/t20-;;/m1../s1.

What are the key properties of 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride?

1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride has a molecular weight of 467.36 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-(4-propan-2-yloxyphenyl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171280875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).