1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine

C22H30N2O — CID 171309305

IUPAC1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine
SMILESCCCCC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C22H30N2O/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/t22-/m0/s1
InChIKeyJIZCZUIORYAHDR-QFIPXVFZSA-N
MW338.50 g/mol
LogP5.01
Rot. Bonds8

About 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine

1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine (PubChem CID 171309305) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine
PubChem CID171309305
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine
SMILESCCCCC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C22H30N2O/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/t22-/m0/s1
InChIKeyJIZCZUIORYAHDR-QFIPXVFZSA-N
XLogP5.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1S)-1-(4-phenoxyphenyl)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

1-[(1R)-1-(4-phenoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308008
1-[(1R)-1-(4-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307483
1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
CID 171165897
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1R)-2-fluoro-1-(4-phenoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182615
1-[(1R)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]hexyl]piperazine
CID 171171240
1-[(1S)-1-[4-(difluoromethoxy)phenyl]pentyl]piperazine
CID 171165002
(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-[(1S)-1-(4-methylsulfanylphenyl)hexyl]piperazine
CID 171309533
1-[(1R)-1-(3-phenylphenyl)hexyl]piperazine
CID 171308361
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine?
The IUPAC name of 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine (CID 171309305) is 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine is CCCCC[C@@H](c1ccc(Oc2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine?
The InChIKey is JIZCZUIORYAHDR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H30N2O/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/t22-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine?
1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine has a molecular weight of 338.50 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-phenoxyphenyl)hexyl]piperazine is sourced from PubChem (CID 171309305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).