1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine

C56H123N11O — CID 158833833

About 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine

1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine (PubChem CID 158833833) has the molecular formula C56H123N11O and a molecular weight of 966.68 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine.

Molecular Properties

• Compound Name: 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine
• PubChem CID: 158833833
• Molecular Formula: C56H123N11O
• Molecular Weight: 966.68 g/mol
• Exact Mass: 965.99
• IUPAC Name: 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine
• SMILES: C.C.CC1CCN(C)CC1.CC1CCNCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCOCC1
• InChI: InChI=1S/C9H18N2.C8H16N2.2C7H15N.C6H14N2.2C6H13N.C5H11NO.2CH4/c1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-5-6-10-4-2-3-8(10)7-9;1-7-3-5-8(2)6-4-7;1-8-6-4-2-3-5-7-8;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;;/h9H,2-8H2,1H3;8H,2-7H2,1H3;7H,3-6H2,1-2H3;2-7H2,1H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2*1H4
• InChIKey: IXJNBHOWYAFLQG-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 53.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	966.68
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine?

The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine (CID 158833833) is 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine.

What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine?

The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine is C.C.CC1CCN(C)CC1.CC1CCNCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCOCC1.

What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine?

The InChIKey is IXJNBHOWYAFLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C8H16N2.2C7H15N.C6H14N2.2C6H13N.C5H11NO.2CH4/c1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-5-6-10-4-2-3-8(10)7-9;1-7-3-5-8(2)6-4-7;1-8-6-4-2-3-5-7-8;1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;;/h9H,2-8H2,1H3;8H,2-7H2,1H3;7H,3-6H2,1-2H3;2-7H2,1H3;3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;2*1H4.

What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine?

1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine has a molecular weight of 966.68 g/mol, XLogP of 7.22, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine is sourced from PubChem (CID 158833833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).