1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine

C12H24N2O — CID 65156757

IUPAC1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine
SMILESCC1OC(C)C(CN2CCNCC2)C1C
InChIInChI=1S/C12H24N2O/c1-9-10(2)15-11(3)12(9)8-14-6-4-13-5-7-14/h9-13H,4-8H2,1-3H3
InChIKeyWZWREVJFHOBXQY-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds2

About 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine

1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine (PubChem CID 65156757) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine
PubChem CID65156757
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine
SMILESCC1OC(C)C(CN2CCNCC2)C1C
InChIInChI=1S/C12H24N2O/c1-9-10(2)15-11(3)12(9)8-14-6-4-13-5-7-14/h9-13H,4-8H2,1-3H3
InChIKeyWZWREVJFHOBXQY-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine?
The IUPAC name of 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine (CID 65156757) is 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine is CC1OC(C)C(CN2CCNCC2)C1C.
What is the InChIKey of 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine?
The InChIKey is WZWREVJFHOBXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-10(2)15-11(3)12(9)8-14-6-4-13-5-7-14/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine?
1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine has a molecular weight of 212.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,5-trimethyloxolan-3-yl)methyl]piperazine is sourced from PubChem (CID 65156757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).