2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine

C12H24N2O — CID 82837846

IUPAC2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
SMILESCC1CN(CC2CCC(C)O2)C(C)CN1
InChIInChI=1S/C12H24N2O/c1-9-7-14(10(2)6-13-9)8-12-5-4-11(3)15-12/h9-13H,4-8H2,1-3H3
InChIKeyNWIKLCPWQBIFQH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds2

About 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine

2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine (PubChem CID 82837846) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
PubChem CID82837846
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine
SMILESCC1CN(CC2CCC(C)O2)C(C)CN1
InChIInChI=1S/C12H24N2O/c1-9-7-14(10(2)6-13-9)8-12-5-4-11(3)15-12/h9-13H,4-8H2,1-3H3
InChIKeyNWIKLCPWQBIFQH-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine (CID 82837846) is 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine is CC1CN(CC2CCC(C)O2)C(C)CN1.
What is the InChIKey of 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine?
The InChIKey is NWIKLCPWQBIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-7-14(10(2)6-13-9)8-12-5-4-11(3)15-12/h9-13H,4-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine?
2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine has a molecular weight of 212.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine is sourced from PubChem (CID 82837846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).