1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine

C16H26N2O2 — CID 63871973

IUPAC1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
SMILESCCOc1ccc(OCCN2CC(C)NC(C)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-4-19-15-5-7-16(8-6-15)20-10-9-18-11-13(2)17-14(3)12-18/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyIXPORVAKINQCJJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.15
Rot. Bonds6

About 1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine

1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine (PubChem CID 63871973) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
PubChem CID63871973
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine
SMILESCCOc1ccc(OCCN2CC(C)NC(C)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-4-19-15-5-7-16(8-6-15)20-10-9-18-11-13(2)17-14(3)12-18/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyIXPORVAKINQCJJ-UHFFFAOYSA-N
XLogP2.15
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
CID 63872390
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 104977061
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
2-[1-[2-(4-ethoxyphenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64617332
4-methyl-1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 103576883
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine (CID 63871973) is 1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine is CCOc1ccc(OCCN2CC(C)NC(C)C2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine?
The InChIKey is IXPORVAKINQCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-19-15-5-7-16(8-6-15)20-10-9-18-11-13(2)17-14(3)12-18/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine?
1-[2-(4-ethoxyphenoxy)ethyl]-3,5-dimethylpiperazine has a molecular weight of 278.40 g/mol, XLogP of 2.15, 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]-3,5-dimethylpiperazine is sourced from PubChem (CID 63871973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).