1-(3-methoxy-3-methylbutyl)piperazine

C10H22N2O — CID 12052553

IUPAC1-(3-methoxy-3-methylbutyl)piperazine
SMILESCOC(C)(C)CCN1CCNCC1
InChIInChI=1S/C10H22N2O/c1-10(2,13-3)4-7-12-8-5-11-6-9-12/h11H,4-9H2,1-3H3
InChIKeyMCGPKJVLJHQWLJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)piperazine

1-(3-methoxy-3-methylbutyl)piperazine (PubChem CID 12052553) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)piperazine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)piperazine
PubChem CID12052553
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(3-methoxy-3-methylbutyl)piperazine
SMILESCOC(C)(C)CCN1CCNCC1
InChIInChI=1S/C10H22N2O/c1-10(2,13-3)4-7-12-8-5-11-6-9-12/h11H,4-9H2,1-3H3
InChIKeyMCGPKJVLJHQWLJ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)piperazine?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)piperazine (CID 12052553) is 1-(3-methoxy-3-methylbutyl)piperazine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)piperazine?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)piperazine is COC(C)(C)CCN1CCNCC1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)piperazine?
The InChIKey is MCGPKJVLJHQWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,13-3)4-7-12-8-5-11-6-9-12/h11H,4-9H2,1-3H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)piperazine?
1-(3-methoxy-3-methylbutyl)piperazine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)piperazine is sourced from PubChem (CID 12052553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).