1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine

C16H34N2O — CID 129254249

IUPAC1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine
SMILESCCCCC(C)(CCC)OCCN1CCN(C)CC1
InChIInChI=1S/C16H34N2O/c1-5-7-9-16(3,8-6-2)19-15-14-18-12-10-17(4)11-13-18/h5-15H2,1-4H3
InChIKeyOXDBGMJBDWYRPK-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.00
Rot. Bonds9

About 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine

1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine (PubChem CID 129254249) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine
PubChem CID129254249
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine
SMILESCCCCC(C)(CCC)OCCN1CCN(C)CC1
InChIInChI=1S/C16H34N2O/c1-5-7-9-16(3,8-6-2)19-15-14-18-12-10-17(4)11-13-18/h5-15H2,1-4H3
InChIKeyOXDBGMJBDWYRPK-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine (CID 129254249) is 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine is CCCCC(C)(CCC)OCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine?
The InChIKey is OXDBGMJBDWYRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-7-9-16(3,8-6-2)19-15-14-18-12-10-17(4)11-13-18/h5-15H2,1-4H3.
What are the key properties of 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine?
1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine has a molecular weight of 270.46 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methyloctan-4-yloxy)ethyl]piperazine is sourced from PubChem (CID 129254249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).