1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine

C12H15BrClFN2 — CID 171182448

IUPAC1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine
SMILESFC[C@@H](c1ccc(Cl)c(Br)c1)N1CCNCC1
InChIInChI=1S/C12H15BrClFN2/c13-10-7-9(1-2-11(10)14)12(8-15)17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8H2/t12-/m0/s1
InChIKeyKHYGXIMVAJJNLH-LBPRGKRZSA-N
MW321.62 g/mol
LogP3.02
Rot. Bonds3

About 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine

1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine (PubChem CID 171182448) has the molecular formula C12H15BrClFN2 and a molecular weight of 321.62 g/mol. Its IUPAC name is 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine
PubChem CID171182448
Molecular FormulaC12H15BrClFN2
Molecular Weight321.62 g/mol
Exact Mass320.01
IUPAC Name1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine
SMILESFC[C@@H](c1ccc(Cl)c(Br)c1)N1CCNCC1
InChIInChI=1S/C12H15BrClFN2/c13-10-7-9(1-2-11(10)14)12(8-15)17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8H2/t12-/m0/s1
InChIKeyKHYGXIMVAJJNLH-LBPRGKRZSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.62
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3,4-dibromophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171296260
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274621
1-[(1R)-1-(3-bromo-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182457
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274950
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182495
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288327
1-[(1R)-1-(4-chlorophenyl)-2-fluoroethyl]piperazine
CID 131476591
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171179093
1-[(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethyl]piperazine
CID 171278354
1-[(1R)-1-(5-bromo-2-chlorophenyl)-2-fluoroethyl]piperazine
CID 171182413
2,6-dibromo-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171286553
(3R)-3-(3-bromo-4-chlorophenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171179097

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine (CID 171182448) is 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine is FC[C@@H](c1ccc(Cl)c(Br)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine?
The InChIKey is KHYGXIMVAJJNLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15BrClFN2/c13-10-7-9(1-2-11(10)14)12(8-15)17-5-3-16-4-6-17/h1-2,7,12,16H,3-6,8H2/t12-/m0/s1.
What are the key properties of 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine?
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine has a molecular weight of 321.62 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine is sourced from PubChem (CID 171182448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).