1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine

C32H72N8OS — CID 159258129

IUPAC1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1
InChIInChI=1S/C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11NS.C5H11N/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;2*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3
InChIKeyKWDXPMKNALXHKO-UHFFFAOYSA-N
MW617.05 g/mol
LogP1.81
Rot. Bonds

About 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine

1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine (PubChem CID 159258129) has the molecular formula C32H72N8OS and a molecular weight of 617.05 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
PubChem CID159258129
Molecular FormulaC32H72N8OS
Molecular Weight617.05 g/mol
Exact Mass616.55
IUPAC Name1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1
InChIInChI=1S/C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11NS.C5H11N/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;2*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3
InChIKeyKWDXPMKNALXHKO-UHFFFAOYSA-N
XLogP1.81
TPSA43.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.05
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine?
The IUPAC name of 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine (CID 159258129) is 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine.
What is the SMILES notation for 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine?
The canonical SMILES for 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine is CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1.
What is the InChIKey of 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine?
The InChIKey is KWDXPMKNALXHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11NS.C5H11N/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;2*1-6-2-4-7-5-3-6;1-6-4-2-3-5-6/h3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine?
1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine has a molecular weight of 617.05 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine is sourced from PubChem (CID 159258129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).