1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine

C18H28N2 — CID 171290602

IUPAC1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1c(C)cc(C)cc1C)N1CCNCC1
InChIInChI=1S/C18H28N2/c1-13(2)10-17(20-8-6-19-7-9-20)18-15(4)11-14(3)12-16(18)5/h11-12,17,19H,1,6-10H2,2-5H3/t17-/m1/s1
InChIKeyJSNPUBQQFPWJQX-QGZVFWFLSA-N
MW272.44 g/mol
LogP3.52
Rot. Bonds4

About 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine

1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine (PubChem CID 171290602) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine
PubChem CID171290602
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine
SMILESC=C(C)C[C@H](c1c(C)cc(C)cc1C)N1CCNCC1
InChIInChI=1S/C18H28N2/c1-13(2)10-17(20-8-6-19-7-9-20)18-15(4)11-14(3)12-16(18)5/h11-12,17,19H,1,6-10H2,2-5H3/t17-/m1/s1
InChIKeyJSNPUBQQFPWJQX-QGZVFWFLSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.52
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-[(1S)-1-(2,6-dimethoxy-4-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171283971
1-[(1S)-2-fluoro-1-(2,4,6-trimethylphenyl)ethyl]piperazine;hydrochloride
CID 171181928
1-[(1S)-1-(2,5-dimethylphenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171283999
1-[(1S)-1-(4,5-dimethylfuran-2-yl)-3-methylbut-3-enyl]piperazine
CID 171282671
1-[(1S)-3-methyl-1-(2,4,6-trifluorophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171277543
5-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]benzene-1,3-diol;dihydrochloride
CID 171273875
4-methyl-2-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol
CID 171288282
1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601
3,5-difluoro-2-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol
CID 171297673
1-[(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171280221
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
CID 171277972
1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
CID 171310942

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine?
The IUPAC name of 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine (CID 171290602) is 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine is C=C(C)C[C@H](c1c(C)cc(C)cc1C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine?
The InChIKey is JSNPUBQQFPWJQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)10-17(20-8-6-19-7-9-20)18-15(4)11-14(3)12-16(18)5/h11-12,17,19H,1,6-10H2,2-5H3/t17-/m1/s1.
What are the key properties of 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine?
1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine is sourced from PubChem (CID 171290602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).