1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine

C12H26N2O — CID 146757625

IUPAC1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCC(C)CCOCCN1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-12(2)4-10-15-11-9-14-7-5-13(3)6-8-14/h12H,4-11H2,1-3H3
InChIKeyRORVLICWRVUSPX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.30
Rot. Bonds6

About 1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine

1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine (PubChem CID 146757625) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
PubChem CID146757625
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
SMILESCC(C)CCOCCN1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-12(2)4-10-15-11-9-14-7-5-13(3)6-8-14/h12H,4-11H2,1-3H3
InChIKeyRORVLICWRVUSPX-UHFFFAOYSA-N
XLogP1.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.30
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-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine (CID 146757625) is 1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine is CC(C)CCOCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine?
The InChIKey is RORVLICWRVUSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2)4-10-15-11-9-14-7-5-13(3)6-8-14/h12H,4-11H2,1-3H3.
What are the key properties of 1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine?
1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine has a molecular weight of 214.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine is sourced from PubChem (CID 146757625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).