1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine

C30H66N6O — CID 158103231

IUPAC1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine
SMILESC.CN1CCCC(=O)C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H11NO.2C6H13N.C5H11N.CH4/c1-7-3-5-8(2)6-4-7;1-7-4-2-3-6(8)5-7;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h3-6H2,1-2H3;2-5H2,1H3;2*2-6H2,1H3;2-5H2,1H3;1H4
InChIKeyFPNGCCMTOWOIPZ-UHFFFAOYSA-N
MW526.90 g/mol
LogP3.70
Rot. Bonds

About 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine

1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine (PubChem CID 158103231) has the molecular formula C30H66N6O and a molecular weight of 526.90 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine
PubChem CID158103231
Molecular FormulaC30H66N6O
Molecular Weight526.90 g/mol
Exact Mass526.53
IUPAC Name1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine
SMILESC.CN1CCCC(=O)C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H11NO.2C6H13N.C5H11N.CH4/c1-7-3-5-8(2)6-4-7;1-7-4-2-3-6(8)5-7;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h3-6H2,1-2H3;2-5H2,1H3;2*2-6H2,1H3;2-5H2,1H3;1H4
InChIKeyFPNGCCMTOWOIPZ-UHFFFAOYSA-N
XLogP3.70
TPSA36.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.90
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine 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 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine (CID 158103231) is 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine is C.CN1CCCC(=O)C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine?
The InChIKey is FPNGCCMTOWOIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H11NO.2C6H13N.C5H11N.CH4/c1-7-3-5-8(2)6-4-7;1-7-4-2-3-6(8)5-7;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h3-6H2,1-2H3;2-5H2,1H3;2*2-6H2,1H3;2-5H2,1H3;1H4.
What are the key properties of 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine?
1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine has a molecular weight of 526.90 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpiperidin-3-one;1-methylpyrrolidine is sourced from PubChem (CID 158103231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).