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

C16H26N2O — CID 64923987

IUPAC3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
SMILESCCC1(C)CN(CCc2ccc(OC)cc2)CCN1
InChIInChI=1S/C16H26N2O/c1-4-16(2)13-18(12-10-17-16)11-9-14-5-7-15(19-3)8-6-14/h5-8,17H,4,9-13H2,1-3H3
InChIKeyZVEIPALQHXYOBU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds5

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

3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine (PubChem CID 64923987) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine.

Molecular Properties

Compound Name3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
PubChem CID64923987
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
SMILESCCC1(C)CN(CCc2ccc(OC)cc2)CCN1
InChIInChI=1S/C16H26N2O/c1-4-16(2)13-18(12-10-17-16)11-9-14-5-7-15(19-3)8-6-14/h5-8,17H,4,9-13H2,1-3H3
InChIKeyZVEIPALQHXYOBU-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
3,3-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 174568705
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine
CID 64926173
2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
CID 65443657
1-[2-(4-fluorophenyl)ethyl]-3,3-dimethylpiperazine
CID 64925974
5-ethyl-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 64930940
1-(3,3-dimethylbutyl)-3-ethyl-3-methylpiperazine
CID 64832654
3,3-diethyl-1-[2-(3-methoxyphenyl)ethyl]-1,4-diazepane
CID 107854123
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine?
The IUPAC name of 3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine (CID 64923987) is 3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine.
What is the SMILES notation for 3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine?
The canonical SMILES for 3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine is CCC1(C)CN(CCc2ccc(OC)cc2)CCN1.
What is the InChIKey of 3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine?
The InChIKey is ZVEIPALQHXYOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(2)13-18(12-10-17-16)11-9-14-5-7-15(19-3)8-6-14/h5-8,17H,4,9-13H2,1-3H3.
What are the key properties of 3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine?
3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine is sourced from PubChem (CID 64923987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).