5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine

C14H30N2O — CID 65053153

IUPAC5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine
SMILESCCC1(C)CN(C(COC)C(C)C)C(C)CN1
InChIInChI=1S/C14H30N2O/c1-7-14(5)10-16(12(4)8-15-14)13(9-17-6)11(2)3/h11-13,15H,7-10H2,1-6H3
InChIKeyPCLTYPMFXBETIJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds5

About 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine

5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine (PubChem CID 65053153) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine
PubChem CID65053153
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine
SMILESCCC1(C)CN(C(COC)C(C)C)C(C)CN1
InChIInChI=1S/C14H30N2O/c1-7-14(5)10-16(12(4)8-15-14)13(9-17-6)11(2)3/h11-13,15H,7-10H2,1-6H3
InChIKeyPCLTYPMFXBETIJ-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine?
The IUPAC name of 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine (CID 65053153) is 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine.
What is the SMILES notation for 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine?
The canonical SMILES for 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine is CCC1(C)CN(C(COC)C(C)C)C(C)CN1.
What is the InChIKey of 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine?
The InChIKey is PCLTYPMFXBETIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-14(5)10-16(12(4)8-15-14)13(9-17-6)11(2)3/h11-13,15H,7-10H2,1-6H3.
What are the key properties of 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine?
5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2,5-dimethylpiperazine is sourced from PubChem (CID 65053153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).