1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride

C17H26BrCl2FN2 — CID 171288497

IUPAC1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(Br)c([C@@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H24BrFN2.2ClH/c18-16-7-6-14(19)12-15(16)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;;/h6-7,12-13,17,20H,1-5,8-11H2;2*1H/t17-;;/m1../s1
InChIKeyJQZSIBDXEACKFC-ZEECNFPPSA-N
MW428.22 g/mol
LogP4.96
Rot. Bonds3

About 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride

1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride (PubChem CID 171288497) has the molecular formula C17H26BrCl2FN2 and a molecular weight of 428.22 g/mol. Its IUPAC name is 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
PubChem CID171288497
Molecular FormulaC17H26BrCl2FN2
Molecular Weight428.22 g/mol
Exact Mass426.06
IUPAC Name1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(Br)c([C@@H](C2CCCCC2)N2CCNCC2)c1
InChIInChI=1S/C17H24BrFN2.2ClH/c18-16-7-6-14(19)12-15(16)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;;/h6-7,12-13,17,20H,1-5,8-11H2;2*1H/t17-;;/m1../s1
InChIKeyJQZSIBDXEACKFC-ZEECNFPPSA-N
XLogP4.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.22
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]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-[(R)-(2-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171169175
1-[(S)-(2-bromo-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163412
1-[(S)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171163387
1-[(R)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168923
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
CID 171168246
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(S)-[2-bromo-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;dihydrochloride
CID 171278973
1-[(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171164593
1-[(R)-cyclobutyl-(2,5-difluorophenyl)methyl]piperazine;dihydrochloride
CID 171289675
1-[(S)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171166052
1-[(R)-cyclohexyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171171421
1-[(R)-cyclopentyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171292518

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride (CID 171288497) is 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc(Br)c([C@@H](C2CCCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
The InChIKey is JQZSIBDXEACKFC-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H24BrFN2.2ClH/c18-16-7-6-14(19)12-15(16)17(13-4-2-1-3-5-13)21-10-8-20-9-11-21;;/h6-7,12-13,17,20H,1-5,8-11H2;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride?
1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride has a molecular weight of 428.22 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-bromo-5-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171288497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).