1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine

C17H26N2O — CID 95477417

IUPAC1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine
SMILESCOc1cc(C)c(C)cc1/C=C/CCN1CCNCC1
InChIInChI=1S/C17H26N2O/c1-14-12-16(17(20-3)13-15(14)2)6-4-5-9-19-10-7-18-8-11-19/h4,6,12-13,18H,5,7-11H2,1-3H3/b6-4+
InChIKeyRNSSWBHBVFFCKL-GQCTYLIASA-N
MW274.41 g/mol
LogP2.62
Rot. Bonds5

About 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine

1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine (PubChem CID 95477417) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine
PubChem CID95477417
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine
SMILESCOc1cc(C)c(C)cc1/C=C/CCN1CCNCC1
InChIInChI=1S/C17H26N2O/c1-14-12-16(17(20-3)13-15(14)2)6-4-5-9-19-10-7-18-8-11-19/h4,6,12-13,18H,5,7-11H2,1-3H3/b6-4+
InChIKeyRNSSWBHBVFFCKL-GQCTYLIASA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-4-(2-methoxyphenyl)but-3-enyl]-1,4-diazepane
CID 95466933
1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enyl]-1,4-diazepane
CID 82301892
1-[2-(2,4-dimethoxy-3,6-dimethylphenyl)ethyl]piperazine
CID 117446675
1-[2-(4-chloro-2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82551173
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
1-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]piperazine
CID 117458592
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682
1-[2-(2-fluoro-4-methoxy-5-methylphenyl)ethyl]piperazine
CID 117384392
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
2,5-dimethoxy-4-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229788
1-(2-methoxy-4,5-dimethylphenyl)-2-piperazin-1-ylethanol
CID 5136943

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine?
The IUPAC name of 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine (CID 95477417) is 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine.
What is the SMILES notation for 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine?
The canonical SMILES for 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine is COc1cc(C)c(C)cc1/C=C/CCN1CCNCC1.
What is the InChIKey of 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine?
The InChIKey is RNSSWBHBVFFCKL-GQCTYLIASA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-12-16(17(20-3)13-15(14)2)6-4-5-9-19-10-7-18-8-11-19/h4,6,12-13,18H,5,7-11H2,1-3H3/b6-4+.
What are the key properties of 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine?
1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-(2-methoxy-4,5-dimethylphenyl)but-3-enyl]piperazine is sourced from PubChem (CID 95477417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).