1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine

C33H72N8O2 — CID 158269361

IUPAC1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine
SMILESCC(=O)N1CCN(C)CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H14N2O.C6H14N2.C6H13N.C5H11NO.C5H11N.C4H9N/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5-3-2-4-5/h3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2-4H2,1H3
InChIKeyGIVHWWAPQTUNJL-UHFFFAOYSA-N
MW612.99 g/mol
LogP1.73
Rot. Bonds

About 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine

1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine (PubChem CID 158269361) has the molecular formula C33H72N8O2 and a molecular weight of 612.99 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine
PubChem CID158269361
Molecular FormulaC33H72N8O2
Molecular Weight612.99 g/mol
Exact Mass612.58
IUPAC Name1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine
SMILESCC(=O)N1CCN(C)CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1
InChIInChI=1S/C7H14N2O.C6H14N2.C6H13N.C5H11NO.C5H11N.C4H9N/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5-3-2-4-5/h3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2-4H2,1H3
InChIKeyGIVHWWAPQTUNJL-UHFFFAOYSA-N
XLogP1.73
TPSA52.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.99
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 158160489
N,N-dimethylethanamine;ethanamine;N-ethylethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;N-ethylpropan-1-amine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;N-methylethanamine
CID 158340651
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158381115
Ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)
CID 159887928
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 160285391
(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 165020891

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine (CID 158269361) is 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine is CC(=O)N1CCN(C)CC1.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine?
The InChIKey is GIVHWWAPQTUNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C6H14N2.C6H13N.C5H11NO.C5H11N.C4H9N/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-4-2-3-5-6;1-5-3-2-4-5/h3-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;2-4H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine?
1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine has a molecular weight of 612.99 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1-methylazetidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;1-methylpyrrolidine is sourced from PubChem (CID 158269361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).