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

C27H61N7OS — CID 159858771

IUPAC1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine
SMILESCN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1
InChIInChI=1S/C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11NS/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/h3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3
InChIKeyNQWGXQAOPOOGBN-UHFFFAOYSA-N
MW531.90 g/mol
LogP1.10
Rot. Bonds

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

1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine (PubChem CID 159858771) has the molecular formula C27H61N7OS and a molecular weight of 531.90 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine
PubChem CID159858771
Molecular FormulaC27H61N7OS
Molecular Weight531.90 g/mol
Exact Mass531.47
IUPAC Name1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine
SMILESCN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1
InChIInChI=1S/C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11NS/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/h3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3
InChIKeyNQWGXQAOPOOGBN-UHFFFAOYSA-N
XLogP1.10
TPSA40.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.90
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-methylazepane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
CID 157410523
4-methylmorpholine;4-methyl-1,4-oxazepane;1-methylpyrrolidine;bis(4-methylthiomorpholine)
CID 165009965
ethane;4-methylmorpholine;1-methylpiperazine
CID 143410242
5,11-dimethyl-1-oxa-5,8,11-triazacyclotetradecane
CID 20610192
1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
CID 160957043
1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460
cyclopropane;1-methylpiperazine
CID 166166790
4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine
CID 158349393
1,4-dimethylpiperazine;morpholine
CID 157159572
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1,4-dimethylpiperazine;1-methyl-3,6-dihydro-2H-pyridine;1-methyl-2,5-dihydropyrrole;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine
CID 162137383
bis(cyclohexane);1,3-dimethylimidazolidine;1,4-dimethylpiperazine;ethane;1-ethyl-4-methylpiperazine;methylcyclohexane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);bis(1-methylpyrrolidine);oxane
CID 157304328

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine?
The IUPAC name of 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine (CID 159858771) is 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine.
What is the SMILES notation for 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine?
The canonical SMILES for 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine is CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1.
What is the InChIKey of 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine?
The InChIKey is NQWGXQAOPOOGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11NS/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/h3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine?
1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine has a molecular weight of 531.90 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine is sourced from PubChem (CID 159858771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).