1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine

C26H58N8 — CID 159426087

IUPAC1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine
SMILESCC1CN(C)CC(C)N1.CC1CN(C)CCN1.CN1CC2CCCNC2C1.CN1CCNCC1
InChIInChI=1S/C8H16N2.C7H16N2.C6H14N2.C5H12N2/c1-10-5-7-3-2-4-9-8(7)6-10;1-6-4-9(3)5-7(2)8-6;1-6-5-8(2)4-3-7-6;1-7-4-2-6-3-5-7/h7-9H,2-6H2,1H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,2-5H2,1H3
InChIKeyLQJGLPJQRUZTEI-UHFFFAOYSA-N
MW482.81 g/mol
LogP0.03
Rot. Bonds

About 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine

1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine (PubChem CID 159426087) has the molecular formula C26H58N8 and a molecular weight of 482.81 g/mol. Its IUPAC name is 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine.

Molecular Properties

Compound Name1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine
PubChem CID159426087
Molecular FormulaC26H58N8
Molecular Weight482.81 g/mol
Exact Mass482.48
IUPAC Name1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine
SMILESCC1CN(C)CC(C)N1.CC1CN(C)CCN1.CN1CC2CCCNC2C1.CN1CCNCC1
InChIInChI=1S/C8H16N2.C7H16N2.C6H14N2.C5H12N2/c1-10-5-7-3-2-4-9-8(7)6-10;1-6-4-9(3)5-7(2)8-6;1-6-5-8(2)4-3-7-6;1-7-4-2-6-3-5-7/h7-9H,2-6H2,1H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,2-5H2,1H3
InChIKeyLQJGLPJQRUZTEI-UHFFFAOYSA-N
XLogP0.03
TPSA61.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.81
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine?
The IUPAC name of 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine (CID 159426087) is 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine.
What is the SMILES notation for 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine?
The canonical SMILES for 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine is CC1CN(C)CC(C)N1.CC1CN(C)CCN1.CN1CC2CCCNC2C1.CN1CCNCC1.
What is the InChIKey of 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine?
The InChIKey is LQJGLPJQRUZTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C7H16N2.C6H14N2.C5H12N2/c1-10-5-7-3-2-4-9-8(7)6-10;1-6-4-9(3)5-7(2)8-6;1-6-5-8(2)4-3-7-6;1-7-4-2-6-3-5-7/h7-9H,2-6H2,1H3;6-8H,4-5H2,1-3H3;6-7H,3-5H2,1-2H3;6H,2-5H2,1H3.
What are the key properties of 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine?
1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine has a molecular weight of 482.81 g/mol, XLogP of 0.03, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperazine;6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine;1-methylpiperazine;1,3,5-trimethylpiperazine is sourced from PubChem (CID 159426087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).