1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine

C18H24N2OS — CID 3866583

IUPAC1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C18H24N2OS/c1-3-21-18-7-5-4-6-17(18)20-12-10-19(11-13-20)14-16-9-8-15(2)22-16/h4-9H,3,10-14H2,1-2H3
InChIKeyFYEUJKKPISJCRQ-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine

1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine (PubChem CID 3866583) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
PubChem CID3866583
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C18H24N2OS/c1-3-21-18-7-5-4-6-17(18)20-12-10-19(11-13-20)14-16-9-8-15(2)22-16/h4-9H,3,10-14H2,1-2H3
InChIKeyFYEUJKKPISJCRQ-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine (CID 3866583) is 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine is CCOc1ccccc1N1CCN(Cc2ccc(C)s2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is FYEUJKKPISJCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-21-18-7-5-4-6-17(18)20-12-10-19(11-13-20)14-16-9-8-15(2)22-16/h4-9H,3,10-14H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 316.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 3866583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).