1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine

C16H24BrFN2 — CID 64845979

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1Cc1ccc(Br)cc1F
InChIInChI=1S/C16H24BrFN2/c1-11(2)6-15-8-19-12(3)9-20(15)10-13-4-5-14(17)7-16(13)18/h4-5,7,11-12,15,19H,6,8-10H2,1-3H3
InChIKeyWFDSSTFZJRCLRT-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.80
Rot. Bonds4

About 1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine

1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 64845979) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID64845979
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1Cc1ccc(Br)cc1F
InChIInChI=1S/C16H24BrFN2/c1-11(2)6-15-8-19-12(3)9-20(15)10-13-4-5-14(17)7-16(13)18/h4-5,7,11-12,15,19H,6,8-10H2,1-3H3
InChIKeyWFDSSTFZJRCLRT-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine (CID 64845979) is 1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine is CC(C)CC1CNC(C)CN1Cc1ccc(Br)cc1F.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is WFDSSTFZJRCLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-11(2)6-15-8-19-12(3)9-20(15)10-13-4-5-14(17)7-16(13)18/h4-5,7,11-12,15,19H,6,8-10H2,1-3H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 343.28 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64845979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).