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

C162H462N8OS — CID 159165399

IUPAC1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1
InChIInChI=1S/C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11NS.C5H11N.65C2H6/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;65*1-2/h3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;65*1-2H3
InChIKeyKKZREWAGDPQKCD-UHFFFAOYSA-N
MW2571.60 g/mol
LogP68.52
Rot. Bonds

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

1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine (PubChem CID 159165399) has the molecular formula C162H462N8OS and a molecular weight of 2571.60 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
PubChem CID159165399
Molecular FormulaC162H462N8OS
Molecular Weight2571.60 g/mol
Exact Mass2569.61
IUPAC Name1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1
InChIInChI=1S/C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11NS.C5H11N.65C2H6/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;65*1-2/h3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;65*1-2H3
InChIKeyKKZREWAGDPQKCD-UHFFFAOYSA-N
XLogP68.52
TPSA43.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002571.60
LogP ≤ 568.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine?
The IUPAC name of 1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine (CID 159165399) is 1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine.
What is the SMILES notation for 1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine?
The canonical SMILES for 1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.CN1CCSCC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine?
The InChIKey is KKZREWAGDPQKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11NS.C5H11N.65C2H6/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;65*1-2/h3-6H2,1-2H3;2-6H2,1H3;6H,2-5H2,1H3;2*2-5H2,1H3;2-5H2,1H3;65*1-2H3.
What are the key properties of 1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine?
1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine has a molecular weight of 2571.60 g/mol, XLogP of 68.52, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine is sourced from PubChem (CID 159165399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).