1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine

C16H26N2O2 — CID 117446670

IUPAC1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
SMILESCCc1c(OC)ccc(CCN2CCNCC2)c1OC
InChIInChI=1S/C16H26N2O2/c1-4-14-15(19-2)6-5-13(16(14)20-3)7-10-18-11-8-17-9-12-18/h5-6,17H,4,7-12H2,1-3H3
InChIKeyLUILFMCVCXBFCQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.71
Rot. Bonds6

About 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine

1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine (PubChem CID 117446670) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
PubChem CID117446670
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine
SMILESCCc1c(OC)ccc(CCN2CCNCC2)c1OC
InChIInChI=1S/C16H26N2O2/c1-4-14-15(19-2)6-5-13(16(14)20-3)7-10-18-11-8-17-9-12-18/h5-6,17H,4,7-12H2,1-3H3
InChIKeyLUILFMCVCXBFCQ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 117420263
1-[2-(4-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458584
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-(2-ethyl-5-fluoro-3-methoxy-4-methylphenyl)ethyl]piperazine
CID 117450445
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(5-chloro-2,3-dimethoxyphenyl)ethyl]piperazine
CID 117458589
1-[2-(5-chloro-3-ethyl-2-methoxyphenyl)ethyl]piperazine
CID 117454705
4-methoxy-N,N-dimethyl-3-(2-piperazin-1-ylethyl)aniline
CID 117413761
1-[2-[2-methoxy-5-(methoxymethyl)phenyl]ethyl]piperazine
CID 117415778

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine (CID 117446670) is 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine is CCc1c(OC)ccc(CCN2CCNCC2)c1OC.
What is the InChIKey of 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine?
The InChIKey is LUILFMCVCXBFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-14-15(19-2)6-5-13(16(14)20-3)7-10-18-11-8-17-9-12-18/h5-6,17H,4,7-12H2,1-3H3.
What are the key properties of 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine?
1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine has a molecular weight of 278.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-2,4-dimethoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 117446670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).