1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine

C15H24N2O2 — CID 65448827

IUPAC1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
SMILESCCOc1ccc(OCCN2CCNC(C)C2)cc1
InChIInChI=1S/C15H24N2O2/c1-3-18-14-4-6-15(7-5-14)19-11-10-17-9-8-16-13(2)12-17/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyZSIKWBIQLAIQIY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.76
Rot. Bonds6

About 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine

1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine (PubChem CID 65448827) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
PubChem CID65448827
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
SMILESCCOc1ccc(OCCN2CCNC(C)C2)cc1
InChIInChI=1S/C15H24N2O2/c1-3-18-14-4-6-15(7-5-14)19-11-10-17-9-8-16-13(2)12-17/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyZSIKWBIQLAIQIY-UHFFFAOYSA-N
XLogP1.76
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
CID 63871973
(3S)-3-methyl-1-[2-(3-methylphenoxy)ethyl]piperazine
CID 51980514
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
1-[2-(4-ethoxyphenoxy)ethyl]-1,4-diazepane
CID 43162465
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperazine
CID 120966241
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-bromophenoxy)ethyl]-3-propylpiperazine
CID 64832801
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
4-[2-(4-ethoxyphenoxy)ethyl]piperazin-2-one
CID 8962129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine (CID 65448827) is 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine is CCOc1ccc(OCCN2CCNC(C)C2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine?
The InChIKey is ZSIKWBIQLAIQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-18-14-4-6-15(7-5-14)19-11-10-17-9-8-16-13(2)12-17/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine?
1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine has a molecular weight of 264.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine is sourced from PubChem (CID 65448827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).