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

C45H95N11O2 — CID 162137383

IUPAC1,4-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
SMILESCC(=O)N1CCN(C)CC1.CN1CC=CC1.CN1CC=CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C7H14N2O.C6H14N2.C6H13N.C6H11N.C5H12N2.C5H11NO.C5H11N.C5H9N/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6/h3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-3H,4-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-3H,4-5H2,1H3
InChIKeyZJLVYCOKESGVRQ-UHFFFAOYSA-N
MW822.33 g/mol
LogP2.29
Rot. Bonds

About 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

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 (PubChem CID 162137383) has the molecular formula C45H95N11O2 and a molecular weight of 822.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID162137383
Molecular FormulaC45H95N11O2
Molecular Weight822.33 g/mol
Exact Mass821.77
IUPAC Name1,4-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
SMILESCC(=O)N1CCN(C)CC1.CN1CC=CC1.CN1CC=CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C7H14N2O.C6H14N2.C6H13N.C6H11N.C5H12N2.C5H11NO.C5H11N.C5H9N/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6/h3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-3H,4-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-3H,4-5H2,1H3
InChIKeyZJLVYCOKESGVRQ-UHFFFAOYSA-N
XLogP2.29
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine
CID 159858771
ethane;4-methylmorpholine;1-methylpiperazine
CID 143410242
5,11-dimethyl-1-oxa-5,8,11-triazacyclotetradecane
CID 20610192
1-methylazepane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
CID 157410523
1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
CID 160957043
1,4-dimethylpiperazine;methanamine;4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine
CID 158044460
1-(4-methylpiperazin-1-yl)ethanone
CID 550758
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
cyclopropane;1-methylpiperazine
CID 166166790
1,4-dimethylpiperazine;morpholine
CID 157159572
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(C)CC1.CN1CC=CC1.CN1CC=CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.
What is the InChIKey of 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?
The InChIKey is ZJLVYCOKESGVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C6H14N2.C6H13N.C6H11N.C5H12N2.C5H11NO.C5H11N.C5H9N/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6/h3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-3H,4-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-3H,4-5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 822.33 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162137383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).