5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine

C14H30N2O — CID 64848829

IUPAC5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
SMILESCCOCCN1CC(C(C)CC)NCC1(C)C
InChIInChI=1S/C14H30N2O/c1-6-12(3)13-10-16(8-9-17-7-2)14(4,5)11-15-13/h12-13,15H,6-11H2,1-5H3
InChIKeyWEOOOYHAMWESEN-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine

5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine (PubChem CID 64848829) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
PubChem CID64848829
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine
SMILESCCOCCN1CC(C(C)CC)NCC1(C)C
InChIInChI=1S/C14H30N2O/c1-6-12(3)13-10-16(8-9-17-7-2)14(4,5)11-15-13/h12-13,15H,6-11H2,1-5H3
InChIKeyWEOOOYHAMWESEN-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine (CID 64848829) is 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine is CCOCCN1CC(C(C)CC)NCC1(C)C.
What is the InChIKey of 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine?
The InChIKey is WEOOOYHAMWESEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-12(3)13-10-16(8-9-17-7-2)14(4,5)11-15-13/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine?
5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(2-ethoxyethyl)-2,2-dimethylpiperazine is sourced from PubChem (CID 64848829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).