1-[2-(5,5-dimethylhexoxy)ethyl]piperazine

C14H30N2O — CID 138647812

IUPAC1-[2-(5,5-dimethylhexoxy)ethyl]piperazine
SMILESCC(C)(C)CCCCOCCN1CCNCC1
InChIInChI=1S/C14H30N2O/c1-14(2,3)6-4-5-12-17-13-11-16-9-7-15-8-10-16/h15H,4-13H2,1-3H3
InChIKeyKFOPHFAXHDVGJO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine

1-[2-(5,5-dimethylhexoxy)ethyl]piperazine (PubChem CID 138647812) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(5,5-dimethylhexoxy)ethyl]piperazine
PubChem CID138647812
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[2-(5,5-dimethylhexoxy)ethyl]piperazine
SMILESCC(C)(C)CCCCOCCN1CCNCC1
InChIInChI=1S/C14H30N2O/c1-14(2,3)6-4-5-12-17-13-11-16-9-7-15-8-10-16/h15H,4-13H2,1-3H3
InChIKeyKFOPHFAXHDVGJO-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine (CID 138647812) is 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine is CC(C)(C)CCCCOCCN1CCNCC1.
What is the InChIKey of 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine?
The InChIKey is KFOPHFAXHDVGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,3)6-4-5-12-17-13-11-16-9-7-15-8-10-16/h15H,4-13H2,1-3H3.
What are the key properties of 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine?
1-[2-(5,5-dimethylhexoxy)ethyl]piperazine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,5-dimethylhexoxy)ethyl]piperazine is sourced from PubChem (CID 138647812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).