1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride

C16H26Cl2F2N2 — CID 171308638

IUPAC1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@@H](c1ccc(F)cc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H24F2N2.2ClH/c1-2-3-4-5-16(20-10-8-19-9-11-20)14-7-6-13(17)12-15(14)18;;/h6-7,12,16,19H,2-5,8-11H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyZTODMBTXADSSHH-SQKCAUCHSA-N
MW355.30 g/mol
LogP4.34
Rot. Bonds6

About 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride

1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171308638) has the molecular formula C16H26Cl2F2N2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride
PubChem CID171308638
Molecular FormulaC16H26Cl2F2N2
Molecular Weight355.30 g/mol
Exact Mass354.14
IUPAC Name1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@@H](c1ccc(F)cc1F)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H24F2N2.2ClH/c1-2-3-4-5-16(20-10-8-19-9-11-20)14-7-6-13(17)12-15(14)18;;/h6-7,12,16,19H,2-5,8-11H2,1H3;2*1H/t16-;;/m0../s1
InChIKeyZTODMBTXADSSHH-SQKCAUCHSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(2,4-difluorophenyl)hexyl]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-(2,4-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171163026
1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171307950
1-[(1R)-1-(2-bromo-5-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307633
1-[(1R)-1-(2,3,5-trifluorophenyl)hexyl]piperazine;dihydrochloride
CID 171307818
1-[(1S)-1-(2,3,5-trifluorophenyl)hexyl]piperazine;dihydrochloride
CID 171309116
1-[(1S)-1-(2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308642
3-fluoro-4-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171308647
1-[(1R)-1-(2,3,5-trifluorophenyl)hexyl]piperazine
CID 171170057
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1R)-1-(2-fluorophenyl)hexyl]piperazine
CID 171168263
1-[(1R)-1-(2-chloro-4-fluorophenyl)pentyl]piperazine
CID 171169591
1-[(1R)-1-(5-fluoro-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171307766

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride (CID 171308638) is 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@@H](c1ccc(F)cc1F)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is ZTODMBTXADSSHH-SQKCAUCHSA-N. The full InChI is InChI=1S/C16H24F2N2.2ClH/c1-2-3-4-5-16(20-10-8-19-9-11-20)14-7-6-13(17)12-15(14)18;;/h6-7,12,16,19H,2-5,8-11H2,1H3;2*1H/t16-;;/m0../s1.
What are the key properties of 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride?
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 355.30 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).