1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine

C14H18BrF3N2 — CID 64931291

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2/c1-9(2)13-8-19-5-6-20(13)12-4-3-10(15)7-11(12)14(16,17)18/h3-4,7,9,13,19H,5-6,8H2,1-2H3
InChIKeyDWPHZFZNSBDUDL-UHFFFAOYSA-N
MW351.21 g/mol
LogP3.90
Rot. Bonds2

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine

1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine (PubChem CID 64931291) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
PubChem CID64931291
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H18BrF3N2/c1-9(2)13-8-19-5-6-20(13)12-4-3-10(15)7-11(12)14(16,17)18/h3-4,7,9,13,19H,5-6,8H2,1-2H3
InChIKeyDWPHZFZNSBDUDL-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine (CID 64931291) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine is CC(C)C1CNCCN1c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine?
The InChIKey is DWPHZFZNSBDUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c1-9(2)13-8-19-5-6-20(13)12-4-3-10(15)7-11(12)14(16,17)18/h3-4,7,9,13,19H,5-6,8H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine?
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine has a molecular weight of 351.21 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 64931291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).