(2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine

C16H24BrFN2 — CID 171480058

IUPAC(2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine
SMILESCC[C@H]1CN(C(C)c2ccc(F)cc2Br)[C@H](CC)CN1
InChIInChI=1S/C16H24BrFN2/c1-4-13-10-20(14(5-2)9-19-13)11(3)15-7-6-12(18)8-16(15)17/h6-8,11,13-14,19H,4-5,9-10H2,1-3H3/t11?,13-,14+/m0/s1
InChIKeyGCTXJNMFNHFBKA-SBKAZOPESA-N
MW343.28 g/mol
LogP4.11
Rot. Bonds4

About (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine

(2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine (PubChem CID 171480058) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine.

Molecular Properties

Compound Name(2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine
PubChem CID171480058
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name(2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine
SMILESCC[C@H]1CN(C(C)c2ccc(F)cc2Br)[C@H](CC)CN1
InChIInChI=1S/C16H24BrFN2/c1-4-13-10-20(14(5-2)9-19-13)11(3)15-7-6-12(18)8-16(15)17/h6-8,11,13-14,19H,4-5,9-10H2,1-3H3/t11?,13-,14+/m0/s1
InChIKeyGCTXJNMFNHFBKA-SBKAZOPESA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine?
The IUPAC name of (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine (CID 171480058) is (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine.
What is the SMILES notation for (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine?
The canonical SMILES for (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine is CC[C@H]1CN(C(C)c2ccc(F)cc2Br)[C@H](CC)CN1.
What is the InChIKey of (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine?
The InChIKey is GCTXJNMFNHFBKA-SBKAZOPESA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-4-13-10-20(14(5-2)9-19-13)11(3)15-7-6-12(18)8-16(15)17/h6-8,11,13-14,19H,4-5,9-10H2,1-3H3/t11?,13-,14+/m0/s1.
What are the key properties of (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine?
(2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine has a molecular weight of 343.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-[1-(2-bromo-4-fluorophenyl)ethyl]-2,5-diethylpiperazine is sourced from PubChem (CID 171480058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).