2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine

C14H28N2O — CID 64840364

IUPAC2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine
SMILESCCCC1CN(C2CCOC2)C(C)(CC)CN1
InChIInChI=1S/C14H28N2O/c1-4-6-12-9-16(13-7-8-17-10-13)14(3,5-2)11-15-12/h12-13,15H,4-11H2,1-3H3
InChIKeyTXLPCYSMZJVUAW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine

2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine (PubChem CID 64840364) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine
PubChem CID64840364
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine
SMILESCCCC1CN(C2CCOC2)C(C)(CC)CN1
InChIInChI=1S/C14H28N2O/c1-4-6-12-9-16(13-7-8-17-10-13)14(3,5-2)11-15-12/h12-13,15H,4-11H2,1-3H3
InChIKeyTXLPCYSMZJVUAW-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine?
The IUPAC name of 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine (CID 64840364) is 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine.
What is the SMILES notation for 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine?
The canonical SMILES for 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine is CCCC1CN(C2CCOC2)C(C)(CC)CN1.
What is the InChIKey of 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine?
The InChIKey is TXLPCYSMZJVUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-12-9-16(13-7-8-17-10-13)14(3,5-2)11-15-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine?
2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-(oxolan-3-yl)-5-propylpiperazine is sourced from PubChem (CID 64840364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).