1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine

C19H32N2O — CID 83940966

IUPAC1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
SMILESCCCOc1cc(C)c(CCCCN2CCNCC2)cc1C
InChIInChI=1S/C19H32N2O/c1-4-13-22-19-15-16(2)18(14-17(19)3)7-5-6-10-21-11-8-20-9-12-21/h14-15,20H,4-13H2,1-3H3
InChIKeyXFYBMJSKAZWCMS-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.32
Rot. Bonds8

About 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine

1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine (PubChem CID 83940966) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
PubChem CID83940966
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine
SMILESCCCOc1cc(C)c(CCCCN2CCNCC2)cc1C
InChIInChI=1S/C19H32N2O/c1-4-13-22-19-15-16(2)18(14-17(19)3)7-5-6-10-21-11-8-20-9-12-21/h14-15,20H,4-13H2,1-3H3
InChIKeyXFYBMJSKAZWCMS-UHFFFAOYSA-N
XLogP3.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]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-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]piperazine
CID 94693693
1-[4-(2,6-dimethyl-4-propoxyphenyl)butyl]piperazine
CID 83940345
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
CID 83936615
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 82552698
1-[2-(4,5-difluoro-2-methylphenoxy)ethyl]piperazine
CID 114276739
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
CID 83940981
difluoromethane;1-[2-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]ethyl]piperazine
CID 143095458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine (CID 83940966) is 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine is CCCOc1cc(C)c(CCCCN2CCNCC2)cc1C.
What is the InChIKey of 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine?
The InChIKey is XFYBMJSKAZWCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-4-13-22-19-15-16(2)18(14-17(19)3)7-5-6-10-21-11-8-20-9-12-21/h14-15,20H,4-13H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine?
1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine has a molecular weight of 304.48 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-4-propoxyphenyl)butyl]piperazine is sourced from PubChem (CID 83940966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).