1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine

C27H58N8 — CID 157138496

IUPAC1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine
SMILESCC1CN(C)CC(C)N1.CC1CN(C)CCN1.CN1CC2CC1CN2.CN1CCN2CCCC2C1
InChIInChI=1S/C8H16N2.C7H16N2.C6H12N2.C6H14N2/c1-9-5-6-10-4-2-3-8(10)7-9;1-6-4-9(3)5-7(2)8-6;1-8-4-5-2-6(8)3-7-5;1-6-5-8(2)4-3-7-6/h8H,2-7H2,1H3;6-8H,4-5H2,1-3H3;5-7H,2-4H2,1H3;6-7H,3-5H2,1-2H3
InChIKeyAJXIWBDQXVSNIP-UHFFFAOYSA-N
MW494.82 g/mol
LogP0.27
Rot. Bonds

About 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine

1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine (PubChem CID 157138496) has the molecular formula C27H58N8 and a molecular weight of 494.82 g/mol. Its IUPAC name is 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine.

Molecular Properties

Compound Name1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine
PubChem CID157138496
Molecular FormulaC27H58N8
Molecular Weight494.82 g/mol
Exact Mass494.48
IUPAC Name1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine
SMILESCC1CN(C)CC(C)N1.CC1CN(C)CCN1.CN1CC2CC1CN2.CN1CCN2CCCC2C1
InChIInChI=1S/C8H16N2.C7H16N2.C6H12N2.C6H14N2/c1-9-5-6-10-4-2-3-8(10)7-9;1-6-4-9(3)5-7(2)8-6;1-8-4-5-2-6(8)3-7-5;1-6-5-8(2)4-3-7-6/h8H,2-7H2,1H3;6-8H,4-5H2,1-3H3;5-7H,2-4H2,1H3;6-7H,3-5H2,1-2H3
InChIKeyAJXIWBDQXVSNIP-UHFFFAOYSA-N
XLogP0.27
TPSA52.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.82
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
CID 66776606
2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
CID 158552360
(3R)-1,3-dimethylpiperazine;ethane
CID 143846249
1,3-dimethylpiperazine;ethane
CID 167500512
(3R)-1,3-dimethylpiperazine;molecular hydrogen
CID 145424168
2,5-dimethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64936770
2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 144525170
bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159931852
1,3-dimethylpiperazine;piperazine;hydrochloride
CID 174960389
2-methyl-2,5-diazabicyclo[2.2.2]octane;hydrochloride
CID 131676431
1-methyl-3-(3-methylpiperidin-1-yl)piperidine
CID 66580299
1-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperazine
CID 117044513

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine?
The IUPAC name of 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine (CID 157138496) is 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine.
What is the SMILES notation for 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine?
The canonical SMILES for 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine is CC1CN(C)CC(C)N1.CC1CN(C)CCN1.CN1CC2CC1CN2.CN1CCN2CCCC2C1.
What is the InChIKey of 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine?
The InChIKey is AJXIWBDQXVSNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C7H16N2.C6H12N2.C6H14N2/c1-9-5-6-10-4-2-3-8(10)7-9;1-6-4-9(3)5-7(2)8-6;1-8-4-5-2-6(8)3-7-5;1-6-5-8(2)4-3-7-6/h8H,2-7H2,1H3;6-8H,4-5H2,1-3H3;5-7H,2-4H2,1H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine?
1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine has a molecular weight of 494.82 g/mol, XLogP of 0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-methyl-2,5-diazabicyclo[2.2.1]heptane;1,3,5-trimethylpiperazine is sourced from PubChem (CID 157138496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).