2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine

C13H28N2O2 — CID 64845837

IUPAC2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine
SMILESCCC(C)C1CNCCN1CCOCCOC
InChIInChI=1S/C13H28N2O2/c1-4-12(2)13-11-14-5-6-15(13)7-8-17-10-9-16-3/h12-14H,4-11H2,1-3H3
InChIKeyCNMSKSCOKBIXEK-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds8

About 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine

2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine (PubChem CID 64845837) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine
PubChem CID64845837
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine
SMILESCCC(C)C1CNCCN1CCOCCOC
InChIInChI=1S/C13H28N2O2/c1-4-12(2)13-11-14-5-6-15(13)7-8-17-10-9-16-3/h12-14H,4-11H2,1-3H3
InChIKeyCNMSKSCOKBIXEK-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.97
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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Related Compounds

2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64843102
2-butan-2-yl-5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64861848
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64848161
1-[3-(2-methoxyethoxy)propyl]-2-methylpiperazine
CID 103410154
2-butan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64846239
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
3-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-1,4-diazepane
CID 103414469
2-cyclohexyl-1-[3-(2-methoxyethoxy)propyl]piperazine
CID 103414076
2-butan-2-yl-1-[(4-ethylphenyl)methyl]piperazine
CID 64844062
2-butan-2-ylpiperazine-1-carbaldehyde
CID 91801359
1-[3-(2-methoxyethoxy)propyl]-7-methyl-1,4-diazepane
CID 103414508

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine?
The IUPAC name of 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine (CID 64845837) is 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine?
The canonical SMILES for 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine is CCC(C)C1CNCCN1CCOCCOC.
What is the InChIKey of 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine?
The InChIKey is CNMSKSCOKBIXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-12(2)13-11-14-5-6-15(13)7-8-17-10-9-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine?
2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-[2-(2-methoxyethoxy)ethyl]piperazine is sourced from PubChem (CID 64845837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).