2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine

C14H22N2O — CID 64954877

IUPAC2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1cccc(OC)c1
InChIInChI=1S/C14H22N2O/c1-4-12-9-15-11(2)10-16(12)13-6-5-7-14(8-13)17-3/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyBBASOMDJACWMBG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds3

About 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine

2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine (PubChem CID 64954877) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
PubChem CID64954877
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1c1cccc(OC)c1
InChIInChI=1S/C14H22N2O/c1-4-12-9-15-11(2)10-16(12)13-6-5-7-14(8-13)17-3/h5-8,11-12,15H,4,9-10H2,1-3H3
InChIKeyBBASOMDJACWMBG-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine?
The IUPAC name of 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine (CID 64954877) is 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine is CCC1CNC(C)CN1c1cccc(OC)c1.
What is the InChIKey of 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine?
The InChIKey is BBASOMDJACWMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12-9-15-11(2)10-16(12)13-6-5-7-14(8-13)17-3/h5-8,11-12,15H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine?
2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methoxyphenyl)-5-methylpiperazine is sourced from PubChem (CID 64954877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).