1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine

C14H21ClN2O — CID 95472670

IUPAC1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
SMILESCCOc1ccc(CCN2CCNCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-2-18-14-4-3-12(11-13(14)15)5-8-17-9-6-16-7-10-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyXAFBZIFZBKXVTB-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.19
Rot. Bonds5

About 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine

1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine (PubChem CID 95472670) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
PubChem CID95472670
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine
SMILESCCOc1ccc(CCN2CCNCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-2-18-14-4-3-12(11-13(14)15)5-8-17-9-6-16-7-10-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyXAFBZIFZBKXVTB-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880
1-[2-[3-chloro-4-(thietan-3-yloxy)phenyl]ethyl]piperazine
CID 117497942
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
4-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperidine
CID 116925686
1-[3-(4-ethoxy-3-propylphenyl)propyl]piperazine
CID 170863848
1-[2-(5-bromo-2-ethoxyphenyl)ethyl]piperazine
CID 82263455
1-[2-(3-chloro-4-propan-2-ylsulfanylphenyl)ethyl]piperazine
CID 117481410
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
2-methoxy-5-(2-piperazin-1-ylethyl)phenol
CID 83294637
1-[2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)ethyl]piperazine
CID 82265314
1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
CID 117469441
1-[2-[3-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117492854

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine (CID 95472670) is 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine is CCOc1ccc(CCN2CCNCC2)cc1Cl.
What is the InChIKey of 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine?
The InChIKey is XAFBZIFZBKXVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-18-14-4-3-12(11-13(14)15)5-8-17-9-6-16-7-10-17/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine?
1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine has a molecular weight of 268.79 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-ethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 95472670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).