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

C17H28Cl2N2 — CID 171294885

IUPAC1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1ccc(C)cc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H26N2.2ClH/c1-4-5-6-17(19-11-9-18-10-12-19)16-8-7-14(2)13-15(16)3;;/h4,7-8,13,17-18H,1,5-6,9-12H2,2-3H3;2*1H/t17-;;/m1../s1
InChIKeyVJNYKTXUNKJSLQ-ZEECNFPPSA-N
MW331.33 g/mol
LogP4.06
Rot. Bonds5

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

1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride (PubChem CID 171294885) has the molecular formula C17H28Cl2N2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
PubChem CID171294885
Molecular FormulaC17H28Cl2N2
Molecular Weight331.33 g/mol
Exact Mass330.16
IUPAC Name1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
SMILESC=CCC[C@H](c1ccc(C)cc1C)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H26N2.2ClH/c1-4-5-6-17(19-11-9-18-10-12-19)16-8-7-14(2)13-15(16)3;;/h4,7-8,13,17-18H,1,5-6,9-12H2,2-3H3;2*1H/t17-;;/m1../s1
InChIKeyVJNYKTXUNKJSLQ-ZEECNFPPSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601
1-[(1R)-1-(4-fluoro-2-methylphenyl)pent-4-enyl]piperazine
CID 171287903
1-[(1S)-1-(2,4-dimethylphenyl)butyl]piperazine;dihydrochloride
CID 171282259
(3S)-3-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 95459507
(2S)-2-(2,4-dimethylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183158
2-fluoro-4-methyl-6-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171298231
4-chloro-2-methyl-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171295975
4-bromo-2-methyl-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171300750
3-methoxy-4-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171274519
1-[(1R)-1-(2,6-difluoro-3-methylphenyl)pent-4-enyl]piperazine
CID 171293030
1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171296249
1-[(1S)-1-(2-bromo-4-methylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171275485

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride (CID 171294885) is 1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride is C=CCC[C@H](c1ccc(C)cc1C)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride?
The InChIKey is VJNYKTXUNKJSLQ-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H26N2.2ClH/c1-4-5-6-17(19-11-9-18-10-12-19)16-8-7-14(2)13-15(16)3;;/h4,7-8,13,17-18H,1,5-6,9-12H2,2-3H3;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride?
1-[(1R)-1-(2,4-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride has a molecular weight of 331.33 g/mol, XLogP of 4.06, 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-dimethylphenyl)pent-4-enyl]piperazine;dihydrochloride is sourced from PubChem (CID 171294885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).