1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride

C18H30Cl2N2 — CID 171290601

IUPAC1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1c(C)cc(C)cc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H28N2.2ClH/c1-5-6-7-17(20-10-8-19-9-11-20)18-15(3)12-14(2)13-16(18)4;;/h5,12-13,17,19H,1,6-11H2,2-4H3;2*1H/t17-;;/m1../s1
InChIKeyJEWSIASTMGYJLF-ZEECNFPPSA-N
MW345.36 g/mol
LogP4.37
Rot. Bonds5

About 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride

1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171290601) has the molecular formula C18H30Cl2N2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171290601
Molecular FormulaC18H30Cl2N2
Molecular Weight345.36 g/mol
Exact Mass344.18
IUPAC Name1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1c(C)cc(C)cc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C18H28N2.2ClH/c1-5-6-7-17(20-10-8-19-9-11-20)18-15(3)12-14(2)13-16(18)4;;/h5,12-13,17,19H,1,6-11H2,2-4H3;2*1H/t17-;;/m1../s1
InChIKeyJEWSIASTMGYJLF-ZEECNFPPSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride 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-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171294885
1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
CID 171310942
1-[(1S)-2-fluoro-1-(2,4,6-trimethylphenyl)ethyl]piperazine;hydrochloride
CID 171181928
4-bromo-3,5-dimethyl-2-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171301191
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
CID 171293030
2-fluoro-4-methyl-6-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171298231
1-[(1S)-1-(4,5-dimethylfuran-2-yl)pent-4-enyl]piperazine
CID 171282669
2-[(1R)-1-piperazin-1-ylpent-4-enyl]benzene-1,3,5-triol
CID 171297311
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
CID 171277972
1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171284729
1-[(1S)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171272101
4-bromo-2-methyl-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171300750

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride (CID 171290601) is 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1c(C)cc(C)cc1C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is JEWSIASTMGYJLF-ZEECNFPPSA-N. The full InChI is InChI=1S/C18H28N2.2ClH/c1-5-6-7-17(20-10-8-19-9-11-20)18-15(3)12-14(2)13-16(18)4;;/h5,12-13,17,19H,1,6-11H2,2-4H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 345.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171290601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).