1-(3-methoxy-2-methylbutyl)piperazine

C10H22N2O — CID 123635138

IUPAC1-(3-methoxy-2-methylbutyl)piperazine
SMILESCOC(C)C(C)CN1CCNCC1
InChIInChI=1S/C10H22N2O/c1-9(10(2)13-3)8-12-6-4-11-5-7-12/h9-11H,4-8H2,1-3H3
InChIKeyPOMHXJAKVFYRPJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.56
Rot. Bonds4

About 1-(3-methoxy-2-methylbutyl)piperazine

1-(3-methoxy-2-methylbutyl)piperazine (PubChem CID 123635138) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylbutyl)piperazine.

Molecular Properties

Compound Name1-(3-methoxy-2-methylbutyl)piperazine
PubChem CID123635138
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(3-methoxy-2-methylbutyl)piperazine
SMILESCOC(C)C(C)CN1CCNCC1
InChIInChI=1S/C10H22N2O/c1-9(10(2)13-3)8-12-6-4-11-5-7-12/h9-11H,4-8H2,1-3H3
InChIKeyPOMHXJAKVFYRPJ-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylbutyl)piperazine?
The IUPAC name of 1-(3-methoxy-2-methylbutyl)piperazine (CID 123635138) is 1-(3-methoxy-2-methylbutyl)piperazine.
What is the SMILES notation for 1-(3-methoxy-2-methylbutyl)piperazine?
The canonical SMILES for 1-(3-methoxy-2-methylbutyl)piperazine is COC(C)C(C)CN1CCNCC1.
What is the InChIKey of 1-(3-methoxy-2-methylbutyl)piperazine?
The InChIKey is POMHXJAKVFYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(10(2)13-3)8-12-6-4-11-5-7-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(3-methoxy-2-methylbutyl)piperazine?
1-(3-methoxy-2-methylbutyl)piperazine has a molecular weight of 186.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylbutyl)piperazine is sourced from PubChem (CID 123635138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).