1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine

C15H32N2O — CID 138461095

IUPAC1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)C(C)COCCN1CCN(C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-13(2)15(5)12-18-11-10-16-6-8-17(9-7-16)14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyZLDJNWCNYYEPCK-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.32
Rot. Bonds7

About 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine

1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine (PubChem CID 138461095) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine
PubChem CID138461095
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)C(C)COCCN1CCN(C(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-13(2)15(5)12-18-11-10-16-6-8-17(9-7-16)14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyZLDJNWCNYYEPCK-UHFFFAOYSA-N
XLogP2.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
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 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine (CID 138461095) is 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine is CC(C)C(C)COCCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine?
The InChIKey is ZLDJNWCNYYEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)15(5)12-18-11-10-16-6-8-17(9-7-16)14(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine?
1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine has a molecular weight of 256.43 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylbutoxy)ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 138461095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).