1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride

C17H25Cl2F3N2O — CID 171170981

IUPAC1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
SMILESCCCCC[C@H](c1ccc(OC(F)(F)F)c(Cl)c1)N1CCNCC1.Cl
InChIInChI=1S/C17H24ClF3N2O.ClH/c1-2-3-4-5-15(23-10-8-22-9-11-23)13-6-7-16(14(18)12-13)24-17(19,20)21;/h6-7,12,15,22H,2-5,8-11H2,1H3;1H/t15-;/m1./s1
InChIKeyPWKJAOMFSVKBLV-XFULWGLBSA-N
MW401.30 g/mol
LogP5.19
Rot. Bonds7

About 1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride

1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride (PubChem CID 171170981) has the molecular formula C17H25Cl2F3N2O and a molecular weight of 401.30 g/mol. Its IUPAC name is 1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
PubChem CID171170981
Molecular FormulaC17H25Cl2F3N2O
Molecular Weight401.30 g/mol
Exact Mass400.13
IUPAC Name1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
SMILESCCCCC[C@H](c1ccc(OC(F)(F)F)c(Cl)c1)N1CCNCC1.Cl
InChIInChI=1S/C17H24ClF3N2O.ClH/c1-2-3-4-5-15(23-10-8-22-9-11-23)13-6-7-16(14(18)12-13)24-17(19,20)21;/h6-7,12,15,22H,2-5,8-11H2,1H3;1H/t15-;/m1./s1
InChIKeyPWKJAOMFSVKBLV-XFULWGLBSA-N
XLogP5.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.30
LogP ≤ 55.19
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-chloro-4-(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-chloro-4-(trifluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171165636
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-methylpentyl]piperazine;dihydrochloride
CID 171311036
(3R)-3-[3-chloro-4-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171173771
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181992
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171309700
1-[(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308402
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171171119
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutyl]piperazine
CID 171165767
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307770
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171172081
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171292097

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride (CID 171170981) is 1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride is CCCCC[C@H](c1ccc(OC(F)(F)F)c(Cl)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride?
The InChIKey is PWKJAOMFSVKBLV-XFULWGLBSA-N. The full InChI is InChI=1S/C17H24ClF3N2O.ClH/c1-2-3-4-5-15(23-10-8-22-9-11-23)13-6-7-16(14(18)12-13)24-17(19,20)21;/h6-7,12,15,22H,2-5,8-11H2,1H3;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride?
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride has a molecular weight of 401.30 g/mol, XLogP of 5.19, 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-chloro-4-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride is sourced from PubChem (CID 171170981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).