1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine

C16H24BrFN2 — CID 64837944

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C)CN1Cc1ccc(F)cc1Br
InChIInChI=1S/C16H24BrFN2/c1-4-5-14-9-19-16(2,3)11-20(14)10-12-6-7-13(18)8-15(12)17/h6-8,14,19H,4-5,9-11H2,1-3H3
InChIKeyIACQKFKYQTUAJK-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.94
Rot. Bonds4

About 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine

1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine (PubChem CID 64837944) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
PubChem CID64837944
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
SMILESCCCC1CNC(C)(C)CN1Cc1ccc(F)cc1Br
InChIInChI=1S/C16H24BrFN2/c1-4-5-14-9-19-16(2,3)11-20(14)10-12-6-7-13(18)8-15(12)17/h6-8,14,19H,4-5,9-11H2,1-3H3
InChIKeyIACQKFKYQTUAJK-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine (CID 64837944) is 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine is CCCC1CNC(C)(C)CN1Cc1ccc(F)cc1Br.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine?
The InChIKey is IACQKFKYQTUAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-4-5-14-9-19-16(2,3)11-20(14)10-12-6-7-13(18)8-15(12)17/h6-8,14,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine?
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine has a molecular weight of 343.28 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine is sourced from PubChem (CID 64837944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).