1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride

C12H18BrCl3N2 — CID 171289338

IUPAC1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride
SMILESC[C@H](c1cc(Cl)ccc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H16BrClN2.2ClH/c1-9(16-6-4-15-5-7-16)11-8-10(14)2-3-12(11)13;;/h2-3,8-9,15H,4-7H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyZFCPCTVRLLJIAX-KLQYNRQASA-N
MW376.55 g/mol
LogP3.91
Rot. Bonds2

About 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171289338) has the molecular formula C12H18BrCl3N2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171289338
Molecular FormulaC12H18BrCl3N2
Molecular Weight376.55 g/mol
Exact Mass373.97
IUPAC Name1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride
SMILESC[C@H](c1cc(Cl)ccc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C12H16BrClN2.2ClH/c1-9(16-6-4-15-5-7-16)11-8-10(14)2-3-12(11)13;;/h2-3,8-9,15H,4-7H2,1H3;2*1H/t9-;;/m1../s1
InChIKeyZFCPCTVRLLJIAX-KLQYNRQASA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-bromo-5-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171288485
2-bromo-4-chloro-6-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171298156
1-[(1R)-1-(2-bromo-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171290106
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170551
1-[(1R)-1-(4-chloro-2-fluorophenyl)ethyl]piperazine
CID 131320342
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[(1S)-1-(2-bromo-5-chlorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163964
1-[(R)-(2-bromo-5-chlorophenyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171289352
1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine
CID 82773468
1-[(1R)-1-(2-bromo-4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171288103
3-bromo-6-fluoro-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171299955
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171168635

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride (CID 171289338) is 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride is C[C@H](c1cc(Cl)ccc1Br)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is ZFCPCTVRLLJIAX-KLQYNRQASA-N. The full InChI is InChI=1S/C12H16BrClN2.2ClH/c1-9(16-6-4-15-5-7-16)11-8-10(14)2-3-12(11)13;;/h2-3,8-9,15H,4-7H2,1H3;2*1H/t9-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 376.55 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).