1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine

C17H28N2O — CID 83941550

IUPAC1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
SMILESCCc1cc(OC)ccc1CCCCN1CCNCC1
InChIInChI=1S/C17H28N2O/c1-3-15-14-17(20-2)8-7-16(15)6-4-5-11-19-12-9-18-10-13-19/h7-8,14,18H,3-6,9-13H2,1-2H3
InChIKeyNLAGREGPEWGGLC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.49
Rot. Bonds7

About 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine

1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine (PubChem CID 83941550) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
PubChem CID83941550
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
SMILESCCc1cc(OC)ccc1CCCCN1CCNCC1
InChIInChI=1S/C17H28N2O/c1-3-15-14-17(20-2)8-7-16(15)6-4-5-11-19-12-9-18-10-13-19/h7-8,14,18H,3-6,9-13H2,1-2H3
InChIKeyNLAGREGPEWGGLC-UHFFFAOYSA-N
XLogP2.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.49
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-ethyl-4-methoxyphenyl)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

4-(2-ethyl-4-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83941549
1-[3-(4-ethoxy-2-ethylphenyl)propyl]-1,4-diazepane
CID 83941684
1-[3-ethyl-5-iodo-4-[4-methoxy-2-(3-piperazin-1-ylpropyl)phenoxy]phenyl]ethanone
CID 143641108
1-[4-(3-methoxyphenyl)butyl]piperazine
CID 94267853
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
5-methoxy-2-(2-piperazin-1-ylethyl)benzaldehyde
CID 117374187
4-methoxy-N,N-dimethyl-2-(piperazin-1-ylmethyl)aniline
CID 117377580
1-[3-(4-ethoxy-2-methylphenyl)propyl]piperazine
CID 83936615
2-[6-methoxy-3-(3-piperazin-1-ylpropyl)indol-1-yl]ethanol
CID 83947668
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
2-[(2-ethyl-4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 120836001
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine (CID 83941550) is 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine is CCc1cc(OC)ccc1CCCCN1CCNCC1.
What is the InChIKey of 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine?
The InChIKey is NLAGREGPEWGGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-15-14-17(20-2)8-7-16(15)6-4-5-11-19-12-9-18-10-13-19/h7-8,14,18H,3-6,9-13H2,1-2H3.
What are the key properties of 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine?
1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine is sourced from PubChem (CID 83941550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).