1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine

C16H25ClN2O — CID 973456

IUPAC1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine
SMILESCCc1cc(OCCN2CCN(CC)CC2)ccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-3-14-13-15(5-6-16(14)17)20-12-11-19-9-7-18(4-2)8-10-19/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyKAOWNKMOWFMZCG-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine

1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine (PubChem CID 973456) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine
PubChem CID973456
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine
SMILESCCc1cc(OCCN2CCN(CC)CC2)ccc1Cl
InChIInChI=1S/C16H25ClN2O/c1-3-14-13-15(5-6-16(14)17)20-12-11-19-9-7-18(4-2)8-10-19/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyKAOWNKMOWFMZCG-UHFFFAOYSA-N
XLogP2.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2935991
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CID 1301156
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2182939
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
CID 30135289
3-(4-chloro-3-ethylphenoxy)propanenitrile
CID 43212888
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
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CID 2184559

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine (CID 973456) is 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine is CCc1cc(OCCN2CCN(CC)CC2)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine?
The InChIKey is KAOWNKMOWFMZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-14-13-15(5-6-16(14)17)20-12-11-19-9-7-18(4-2)8-10-19/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine?
1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine has a molecular weight of 296.84 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine is sourced from PubChem (CID 973456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).