1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine

C15H32N2O2 — CID 103414152

IUPAC1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOCCOCCCN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C15H32N2O2/c1-13(2)14-11-16-15(3,4)12-17(14)7-6-8-19-10-9-18-5/h13-14,16H,6-12H2,1-5H3
InChIKeyULOKQWFBJMVIFG-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds8

About 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine

1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 103414152) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID103414152
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOCCOCCCN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C15H32N2O2/c1-13(2)14-11-16-15(3,4)12-17(14)7-6-8-19-10-9-18-5/h13-14,16H,6-12H2,1-5H3
InChIKeyULOKQWFBJMVIFG-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine (CID 103414152) is 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine is COCCOCCCN1CC(C)(C)NCC1C(C)C.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is ULOKQWFBJMVIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-13(2)14-11-16-15(3,4)12-17(14)7-6-8-19-10-9-18-5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 103414152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).