1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine

C11H20N2O — CID 167165127

IUPAC1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine
SMILESCC1=CCOCC1C1CN(C)CCN1
InChIInChI=1S/C11H20N2O/c1-9-3-6-14-8-10(9)11-7-13(2)5-4-12-11/h3,10-12H,4-8H2,1-2H3
InChIKeyRBUBEIBDCUMKOG-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.48
Rot. Bonds1

About 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine

1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine (PubChem CID 167165127) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine
PubChem CID167165127
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine
SMILESCC1=CCOCC1C1CN(C)CCN1
InChIInChI=1S/C11H20N2O/c1-9-3-6-14-8-10(9)11-7-13(2)5-4-12-11/h3,10-12H,4-8H2,1-2H3
InChIKeyRBUBEIBDCUMKOG-UHFFFAOYSA-N
XLogP0.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine?
The IUPAC name of 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine (CID 167165127) is 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine.
What is the SMILES notation for 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine?
The canonical SMILES for 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine is CC1=CCOCC1C1CN(C)CCN1.
What is the InChIKey of 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine?
The InChIKey is RBUBEIBDCUMKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-3-6-14-8-10(9)11-7-13(2)5-4-12-11/h3,10-12H,4-8H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine?
1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine has a molecular weight of 196.29 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-3,6-dihydro-2H-pyran-3-yl)piperazine is sourced from PubChem (CID 167165127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).