1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine

C17H24BrF3N2 — CID 171170520

IUPAC1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine
SMILESCCCCC[C@H](c1cc(Br)cc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C17H24BrF3N2/c1-2-3-4-5-16(23-8-6-22-7-9-23)13-10-14(17(19,20)21)12-15(18)11-13/h10-12,16,22H,2-9H2,1H3/t16-/m1/s1
InChIKeyFXKIZHXFEPXXRQ-MRXNPFEDSA-N
MW393.29 g/mol
LogP4.99
Rot. Bonds6

About 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine

1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine (PubChem CID 171170520) has the molecular formula C17H24BrF3N2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine
PubChem CID171170520
Molecular FormulaC17H24BrF3N2
Molecular Weight393.29 g/mol
Exact Mass392.11
IUPAC Name1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine
SMILESCCCCC[C@H](c1cc(Br)cc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C17H24BrF3N2/c1-2-3-4-5-16(23-8-6-22-7-9-23)13-10-14(17(19,20)21)12-15(18)11-13/h10-12,16,22H,2-9H2,1H3/t16-/m1/s1
InChIKeyFXKIZHXFEPXXRQ-MRXNPFEDSA-N
XLogP4.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine 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

(4S)-4-[3-bromo-5-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171174495
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303775
1-[(1S)-1-(3,5-dibromophenyl)pentyl]piperazine
CID 171309615
1-[(1R)-1-[3-bromo-5-(trifluoromethoxy)phenyl]hexyl]piperazine
CID 171171090
1-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine
CID 171165211
1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309701
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640
1-[(1S)-1-(3-bromo-5-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309031
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine
CID 171291584
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine
CID 171170628
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171170523

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine?
The IUPAC name of 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine (CID 171170520) is 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine is CCCCC[C@H](c1cc(Br)cc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine?
The InChIKey is FXKIZHXFEPXXRQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24BrF3N2/c1-2-3-4-5-16(23-8-6-22-7-9-23)13-10-14(17(19,20)21)12-15(18)11-13/h10-12,16,22H,2-9H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine?
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]hexyl]piperazine has a molecular weight of 393.29 g/mol, XLogP of 4.99, 6 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-5-(trifluoromethyl)phenyl]hexyl]piperazine is sourced from PubChem (CID 171170520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).