1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride

C22H32Cl2N2O — CID 171308008

IUPAC1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C22H30N2O.2ClH/c1-2-3-5-10-22(24-17-15-23-16-18-24)19-11-13-21(14-12-19)25-20-8-6-4-7-9-20;;/h4,6-9,11-14,22-23H,2-3,5,10,15-18H2,1H3;2*1H/t22-;;/m1../s1
InChIKeyKCRIXHQLMXEFBT-GJICFQLNSA-N
MW411.42 g/mol
LogP5.85
Rot. Bonds8

About 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride

1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride (PubChem CID 171308008) has the molecular formula C22H32Cl2N2O and a molecular weight of 411.42 g/mol. Its IUPAC name is 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride
PubChem CID171308008
Molecular FormulaC22H32Cl2N2O
Molecular Weight411.42 g/mol
Exact Mass410.19
IUPAC Name1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride
SMILESCCCCC[C@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C22H30N2O.2ClH/c1-2-3-5-10-22(24-17-15-23-16-18-24)19-11-13-21(14-12-19)25-20-8-6-4-7-9-20;;/h4,6-9,11-14,22-23H,2-3,5,10,15-18H2,1H3;2*1H/t22-;;/m1../s1
InChIKeyKCRIXHQLMXEFBT-GJICFQLNSA-N
XLogP5.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine
CID 171309305
1-[(1R)-1-(4-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307483
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
CID 171165897
(2R)-2-(4-phenoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183512
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171171241
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine
CID 171171240
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
1-[(1R)-3-methyl-1-(4-phenoxyphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171292352
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine;dihydrochloride
CID 171308362

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride (CID 171308008) is 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride is CCCCC[C@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride?
The InChIKey is KCRIXHQLMXEFBT-GJICFQLNSA-N. The full InChI is InChI=1S/C22H30N2O.2ClH/c1-2-3-5-10-22(24-17-15-23-16-18-24)19-11-13-21(14-12-19)25-20-8-6-4-7-9-20;;/h4,6-9,11-14,22-23H,2-3,5,10,15-18H2,1H3;2*1H/t22-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride?
1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride has a molecular weight of 411.42 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride is sourced from PubChem (CID 171308008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).