1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine

C21H26N2O — CID 171286987

IUPAC1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cccc(Oc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C21H26N2O/c1-2-3-12-21(23-15-13-22-14-16-23)18-8-7-11-20(17-18)24-19-9-5-4-6-10-19/h2,4-11,17,21-22H,1,3,12-16H2/t21-/m1/s1
InChIKeyIVJGBJJNMJZTCJ-OAQYLSRUSA-N
MW322.45 g/mol
LogP4.39
Rot. Bonds7

About 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine

1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine (PubChem CID 171286987) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine
PubChem CID171286987
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine
SMILESC=CCC[C@H](c1cccc(Oc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C21H26N2O/c1-2-3-12-21(23-15-13-22-14-16-23)18-8-7-11-20(17-18)24-19-9-5-4-6-10-19/h2,4-11,17,21-22H,1,3,12-16H2/t21-/m1/s1
InChIKeyIVJGBJJNMJZTCJ-OAQYLSRUSA-N
XLogP4.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]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-[(1S)-3-fluoro-1-(3-phenoxyphenyl)propyl]piperazine;hydrochloride
CID 171163278
1-[(1R)-1-(3-phenylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171295763
(3S)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305866
(3R)-3-(3-phenoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306611
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171172096
1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171291315
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171172097
4-[(1S)-1-piperazin-1-ylpent-4-enyl]benzene-1,2-diol;dihydrochloride
CID 171272501
1-[(1S)-2-methyl-1-(3-phenoxyphenyl)butyl]piperazine
CID 171305102
1-[(1S)-1-(4-bromophenyl)pent-4-enyl]piperazine
CID 171273720
1-[(1S)-4,4,4-trifluoro-1-(4-phenoxyphenyl)butyl]piperazine
CID 171165897
1-[(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-enyl]piperazine
CID 171291836

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine (CID 171286987) is 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine is C=CCC[C@H](c1cccc(Oc2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine?
The InChIKey is IVJGBJJNMJZTCJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-3-12-21(23-15-13-22-14-16-23)18-8-7-11-20(17-18)24-19-9-5-4-6-10-19/h2,4-11,17,21-22H,1,3,12-16H2/t21-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine?
1-[(1R)-1-(3-phenoxyphenyl)pent-4-enyl]piperazine has a molecular weight of 322.45 g/mol, XLogP of 4.39, 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-phenoxyphenyl)pent-4-enyl]piperazine is sourced from PubChem (CID 171286987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).