2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine

C14H30N2O — CID 64839085

IUPAC2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCC(C)CCOCCN1CC(C)(C)NCC1C
InChIInChI=1S/C14H30N2O/c1-12(2)6-8-17-9-7-16-11-14(4,5)15-10-13(16)3/h12-13,15H,6-11H2,1-5H3
InChIKeyQORQPMMSANBIFG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine

2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine (PubChem CID 64839085) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
PubChem CID64839085
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCC(C)CCOCCN1CC(C)(C)NCC1C
InChIInChI=1S/C14H30N2O/c1-12(2)6-8-17-9-7-16-11-14(4,5)15-10-13(16)3/h12-13,15H,6-11H2,1-5H3
InChIKeyQORQPMMSANBIFG-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 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The IUPAC name of 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine (CID 64839085) is 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine is CC(C)CCOCCN1CC(C)(C)NCC1C.
What is the InChIKey of 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
The InChIKey is QORQPMMSANBIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)6-8-17-9-7-16-11-14(4,5)15-10-13(16)3/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine?
2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine 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 2,5,5-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine is sourced from PubChem (CID 64839085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).