1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine

C16H25ClN2O — CID 83933258

IUPAC1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
SMILESCCOc1ccc(Cl)cc1CCCCN1CCNCC1
InChIInChI=1S/C16H25ClN2O/c1-2-20-16-7-6-15(17)13-14(16)5-3-4-10-19-11-8-18-9-12-19/h6-7,13,18H,2-5,8-12H2,1H3
InChIKeyAQBKIGWGASUADK-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.97
Rot. Bonds7

About 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine

1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine (PubChem CID 83933258) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
PubChem CID83933258
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
SMILESCCOc1ccc(Cl)cc1CCCCN1CCNCC1
InChIInChI=1S/C16H25ClN2O/c1-2-20-16-7-6-15(17)13-14(16)5-3-4-10-19-11-8-18-9-12-19/h6-7,13,18H,2-5,8-12H2,1H3
InChIKeyAQBKIGWGASUADK-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
CID 82263455
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
1-[3-(2-ethoxyphenyl)propyl]-1,4-diazepane
CID 95468566
4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
CID 177027735
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
CID 95472670
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159
1-[4-(2,5-dichlorophenoxy)butyl]piperazine
CID 2299434
1-[3-(2,5-dichlorophenyl)propyl]-1,4-diazepane
CID 83931363
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine (CID 83933258) is 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine is CCOc1ccc(Cl)cc1CCCCN1CCNCC1.
What is the InChIKey of 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine?
The InChIKey is AQBKIGWGASUADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-2-20-16-7-6-15(17)13-14(16)5-3-4-10-19-11-8-18-9-12-19/h6-7,13,18H,2-5,8-12H2,1H3.
What are the key properties of 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine?
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine has a molecular weight of 296.84 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine is sourced from PubChem (CID 83933258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).