1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine

C35H78N8O — CID 161160475

IUPAC1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNC(=O)C1
InChIInChI=1S/C6H14N2.3C6H13N.C5H10N2O.C5H11N.CH4/c1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7;1-7-3-2-6-5(8)4-7;1-6-4-2-3-5-6;/h3-6H2,1-2H3;3*2-6H2,1H3;2-4H2,1H3,(H,6,8);2-5H2,1H3;1H4
InChIKeyUPVWJNKAHFDZAE-UHFFFAOYSA-N
MW627.06 g/mol
LogP3.57
Rot. Bonds

About 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine

1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 161160475) has the molecular formula C35H78N8O and a molecular weight of 627.06 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID161160475
Molecular FormulaC35H78N8O
Molecular Weight627.06 g/mol
Exact Mass626.63
IUPAC Name1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine
SMILESC.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNC(=O)C1
InChIInChI=1S/C6H14N2.3C6H13N.C5H10N2O.C5H11N.CH4/c1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7;1-7-3-2-6-5(8)4-7;1-6-4-2-3-5-6;/h3-6H2,1-2H3;3*2-6H2,1H3;2-4H2,1H3,(H,6,8);2-5H2,1H3;1H4
InChIKeyUPVWJNKAHFDZAE-UHFFFAOYSA-N
XLogP3.57
TPSA51.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.06
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentylpiperazine;2,3-dimethylpiperazine;1-methylpiperazine;bis(2-methylpiperazine);2-(4-methylpiperazin-1-yl)ethanamine;1-methyl-4-(2-piperidin-4-ylethyl)piperazine;piperazine;piperazin-2-one;N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine;3-piperazin-1-ylpropan-1-amine;1-(3-pyrrolidin-1-ylpropyl)piperazine
CID 157628200
Tris(1-tert-butyl-4-methylpiperazine);1-tert-butylpiperazine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane
CID 158255635
(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;2-ethyl-4-methyl-1-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 158792794
N,N-dimethylpropan-2-amine;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-morpholin-4-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperidin-1-yl-N-propan-2-ylacetamide;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;trimethyl(propan-2-yl)azanium
CID 159537635
Methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 160808307
Methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine
CID 162061988
2-(4-Methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 162077646

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine (CID 161160475) is 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine is C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNC(=O)C1.
What is the InChIKey of 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is UPVWJNKAHFDZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.3C6H13N.C5H10N2O.C5H11N.CH4/c1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7;1-7-3-2-6-5(8)4-7;1-6-4-2-3-5-6;/h3-6H2,1-2H3;3*2-6H2,1H3;2-4H2,1H3,(H,6,8);2-5H2,1H3;1H4.
What are the key properties of 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine?
1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 627.06 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 161160475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).