1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride

C13H18BrCl3N2 — CID 171289468

IUPAC1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccc(Cl)c(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H16BrClN2.2ClH/c1-2-13(17-7-5-16-6-8-17)10-3-4-12(15)11(14)9-10;;/h2-4,9,13,16H,1,5-8H2;2*1H/t13-;;/m1../s1
InChIKeyLXJCEUSWTZQYMY-FFXKMJQXSA-N
MW388.56 g/mol
LogP4.08
Rot. Bonds3

About 1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride

1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride (PubChem CID 171289468) has the molecular formula C13H18BrCl3N2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
PubChem CID171289468
Molecular FormulaC13H18BrCl3N2
Molecular Weight388.56 g/mol
Exact Mass385.97
IUPAC Name1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
SMILESC=C[C@H](c1ccc(Cl)c(Br)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C13H16BrClN2.2ClH/c1-2-13(17-7-5-16-6-8-17)10-3-4-12(15)11(14)9-10;;/h2-4,9,13,16H,1,5-8H2;2*1H/t13-;;/m1../s1
InChIKeyLXJCEUSWTZQYMY-FFXKMJQXSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(4-chloro-3-fluorophenyl)prop-2-enyl]piperazine
CID 171166426
1-[(1S)-1-(3-chloro-4-fluorophenyl)prop-2-enyl]piperazine
CID 171163445
1-[(1S)-1-(4-bromo-3-fluorophenyl)prop-2-enyl]piperazine
CID 171163518
1-[(1R)-1-(3-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171286216
1-[(1S)-1-(4-chloro-3-nitrophenyl)prop-2-enyl]piperazine
CID 171278348
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171179093
1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine
CID 171288389
1-[(1R)-1-(3-bromo-4-chlorophenyl)-2-fluoroethyl]piperazine
CID 171182448
2-bromo-3-chloro-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171300759
1-[(1R)-1-(2-bromo-4-chlorophenyl)prop-2-enyl]piperazine
CID 171289378
1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273419
1-[(1R)-1-(2-chloro-5-fluorophenyl)prop-2-enyl]piperazine
CID 171169915

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride (CID 171289468) is 1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride is C=C[C@H](c1ccc(Cl)c(Br)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride?
The InChIKey is LXJCEUSWTZQYMY-FFXKMJQXSA-N. The full InChI is InChI=1S/C13H16BrClN2.2ClH/c1-2-13(17-7-5-16-6-8-17)10-3-4-12(15)11(14)9-10;;/h2-4,9,13,16H,1,5-8H2;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-bromo-4-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride has a molecular weight of 388.56 g/mol, XLogP of 4.08, 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)prop-2-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171289468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).