1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine

C16H22BrFN2 — CID 107603913

IUPAC1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine
SMILESFc1cccc(Br)c1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C16H22BrFN2/c17-13-7-4-8-14(18)16(13)20-10-9-19-15(11-20)12-5-2-1-3-6-12/h4,7-8,12,15,19H,1-3,5-6,9-11H2
InChIKeyMMJRROBGPZPNMW-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.95
Rot. Bonds2

About 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine

1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine (PubChem CID 107603913) has the molecular formula C16H22BrFN2 and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine
PubChem CID107603913
Molecular FormulaC16H22BrFN2
Molecular Weight341.27 g/mol
Exact Mass340.10
IUPAC Name1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine
SMILESFc1cccc(Br)c1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C16H22BrFN2/c17-13-7-4-8-14(18)16(13)20-10-9-19-15(11-20)12-5-2-1-3-6-12/h4,7-8,12,15,19H,1-3,5-6,9-11H2
InChIKeyMMJRROBGPZPNMW-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine (CID 107603913) is 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine is Fc1cccc(Br)c1N1CCNC(C2CCCCC2)C1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine?
The InChIKey is MMJRROBGPZPNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2/c17-13-7-4-8-14(18)16(13)20-10-9-19-15(11-20)12-5-2-1-3-6-12/h4,7-8,12,15,19H,1-3,5-6,9-11H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine?
1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine has a molecular weight of 341.27 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-3-cyclohexylpiperazine is sourced from PubChem (CID 107603913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).