1-(2,2-dimethylcyclobutyl)-3-methylpiperazine

C11H22N2 — CID 130554773

IUPAC1-(2,2-dimethylcyclobutyl)-3-methylpiperazine
SMILESCC1CN(C2CCC2(C)C)CCN1
InChIInChI=1S/C11H22N2/c1-9-8-13(7-6-12-9)10-4-5-11(10,2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyLLKQVVMJSZAIAJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds1

About 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine

1-(2,2-dimethylcyclobutyl)-3-methylpiperazine (PubChem CID 130554773) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclobutyl)-3-methylpiperazine
PubChem CID130554773
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-(2,2-dimethylcyclobutyl)-3-methylpiperazine
SMILESCC1CN(C2CCC2(C)C)CCN1
InChIInChI=1S/C11H22N2/c1-9-8-13(7-6-12-9)10-4-5-11(10,2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyLLKQVVMJSZAIAJ-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine?
The IUPAC name of 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine (CID 130554773) is 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine?
The canonical SMILES for 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine is CC1CN(C2CCC2(C)C)CCN1.
What is the InChIKey of 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine?
The InChIKey is LLKQVVMJSZAIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-8-13(7-6-12-9)10-4-5-11(10,2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine?
1-(2,2-dimethylcyclobutyl)-3-methylpiperazine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclobutyl)-3-methylpiperazine is sourced from PubChem (CID 130554773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).