2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine

C16H34N2O — CID 64839580

IUPAC2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCOCCC(C)C)C(C)(C)CN1
InChIInChI=1S/C16H34N2O/c1-6-7-15-12-18(16(4,5)13-17-15)9-11-19-10-8-14(2)3/h14-15,17H,6-13H2,1-5H3
InChIKeyZUMFRDIGEULFMX-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds8

About 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine

2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine (PubChem CID 64839580) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
PubChem CID64839580
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
SMILESCCCC1CN(CCOCCC(C)C)C(C)(C)CN1
InChIInChI=1S/C16H34N2O/c1-6-7-15-12-18(16(4,5)13-17-15)9-11-19-10-8-14(2)3/h14-15,17H,6-13H2,1-5H3
InChIKeyZUMFRDIGEULFMX-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
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 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine?
The IUPAC name of 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine (CID 64839580) is 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine is CCCC1CN(CCOCCC(C)C)C(C)(C)CN1.
What is the InChIKey of 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine?
The InChIKey is ZUMFRDIGEULFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-7-15-12-18(16(4,5)13-17-15)9-11-19-10-8-14(2)3/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine?
2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine is sourced from PubChem (CID 64839580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).