1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride

C14H22BrCl2FN2 — CID 171287499

IUPAC1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc(F)cc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20BrFN2.2ClH/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(16)10-13(12)15;;/h4-5,10,14,17H,2-3,6-9H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyZYJMMYQIMMWUFU-FMOMHUKBSA-N
MW388.15 g/mol
LogP4.18
Rot. Bonds4

About 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride

1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride (PubChem CID 171287499) has the molecular formula C14H22BrCl2FN2 and a molecular weight of 388.15 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride
PubChem CID171287499
Molecular FormulaC14H22BrCl2FN2
Molecular Weight388.15 g/mol
Exact Mass386.03
IUPAC Name1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride
SMILESCCC[C@H](c1ccc(F)cc1Br)N1CCNCC1.Cl.Cl
InChIInChI=1S/C14H20BrFN2.2ClH/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(16)10-13(12)15;;/h4-5,10,14,17H,2-3,6-9H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyZYJMMYQIMMWUFU-FMOMHUKBSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171163371
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171168887
1-[(1R)-1-(2-bromo-5-fluorophenyl)butyl]piperazine
CID 171169151
1-[(1R)-1-(2-chloro-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171289658
1-[(1R)-1-(2-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287501
1-[(1S)-1-(2-bromo-4-methylphenyl)butyl]piperazine
CID 171275500
1-[(1S)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178788
1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine
CID 171175368
1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168949
1-[(1S)-1-(2-bromo-4-fluorophenyl)pent-4-enyl]piperazine
CID 171274875
1-[(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166024
1-[(1R)-1-(2-bromo-5-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307633

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride (CID 171287499) is 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride is CCC[C@H](c1ccc(F)cc1Br)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride?
The InChIKey is ZYJMMYQIMMWUFU-FMOMHUKBSA-N. The full InChI is InChI=1S/C14H20BrFN2.2ClH/c1-2-3-14(18-8-6-17-7-9-18)12-5-4-11(16)10-13(12)15;;/h4-5,10,14,17H,2-3,6-9H2,1H3;2*1H/t14-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride?
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride has a molecular weight of 388.15 g/mol, XLogP of 4.18, 4 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-4-fluorophenyl)butyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).