1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine

C14H18BrFN2 — CID 64924308

IUPAC1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine
SMILESCC1(C2CC2)CN(c2ccc(F)cc2Br)CCN1
InChIInChI=1S/C14H18BrFN2/c1-14(10-2-3-10)9-18(7-6-17-14)13-5-4-11(16)8-12(13)15/h4-5,8,10,17H,2-3,6-7,9H2,1H3
InChIKeyLOUSUOXHSSDWRI-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.17
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine

1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine (PubChem CID 64924308) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine
PubChem CID64924308
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine
SMILESCC1(C2CC2)CN(c2ccc(F)cc2Br)CCN1
InChIInChI=1S/C14H18BrFN2/c1-14(10-2-3-10)9-18(7-6-17-14)13-5-4-11(16)8-12(13)15/h4-5,8,10,17H,2-3,6-7,9H2,1H3
InChIKeyLOUSUOXHSSDWRI-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.17
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)-3-cyclopropyl-3-methylpiperazine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine (CID 64924308) is 1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine is CC1(C2CC2)CN(c2ccc(F)cc2Br)CCN1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine?
The InChIKey is LOUSUOXHSSDWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c1-14(10-2-3-10)9-18(7-6-17-14)13-5-4-11(16)8-12(13)15/h4-5,8,10,17H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine?
1-(2-bromo-4-fluorophenyl)-3-cyclopropyl-3-methylpiperazine has a molecular weight of 313.21 g/mol, XLogP of 3.17, 2 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)-3-cyclopropyl-3-methylpiperazine is sourced from PubChem (CID 64924308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).