1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride

C17H26ClF3N2O — CID 171172081

IUPAC1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
SMILESCCCCC[C@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.Cl
InChIInChI=1S/C17H25F3N2O.ClH/c1-2-3-4-8-16(22-11-9-21-10-12-22)14-6-5-7-15(13-14)23-17(18,19)20;/h5-7,13,16,21H,2-4,8-12H2,1H3;1H/t16-;/m1./s1
InChIKeyMYHDXISLYMYAHV-PKLMIRHRSA-N
MW366.86 g/mol
LogP4.53
Rot. Bonds7

About 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride

1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride (PubChem CID 171172081) has the molecular formula C17H26ClF3N2O and a molecular weight of 366.86 g/mol. Its IUPAC name is 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
PubChem CID171172081
Molecular FormulaC17H26ClF3N2O
Molecular Weight366.86 g/mol
Exact Mass366.17
IUPAC Name1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
SMILESCCCCC[C@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.Cl
InChIInChI=1S/C17H25F3N2O.ClH/c1-2-3-4-8-16(22-11-9-21-10-12-22)14-6-5-7-15(13-14)23-17(18,19)20;/h5-7,13,16,21H,2-4,8-12H2,1H3;1H/t16-;/m1./s1
InChIKeyMYHDXISLYMYAHV-PKLMIRHRSA-N
XLogP4.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride 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-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171309375
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171308077
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171172097
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171310343
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171172096
1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1R)-1-[3-bromo-5-(trifluoromethoxy)phenyl]hexyl]piperazine
CID 171171090
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171170981
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride (CID 171172081) is 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride is CCCCC[C@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride?
The InChIKey is MYHDXISLYMYAHV-PKLMIRHRSA-N. The full InChI is InChI=1S/C17H25F3N2O.ClH/c1-2-3-4-8-16(22-11-9-21-10-12-22)14-6-5-7-15(13-14)23-17(18,19)20;/h5-7,13,16,21H,2-4,8-12H2,1H3;1H/t16-;/m1./s1.
What are the key properties of 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride?
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride is sourced from PubChem (CID 171172081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).