1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine

C94H205N21 — CID 159559252

About 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine

1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine (PubChem CID 159559252) has the molecular formula C94H205N21 and a molecular weight of 1629.82 g/mol. Its IUPAC name is 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

• Compound Name: 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine
• PubChem CID: 159559252
• Molecular Formula: C94H205N21
• Molecular Weight: 1629.82 g/mol
• Exact Mass: 1628.67
• IUPAC Name: 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine
• SMILES: C.C.CC(C)N1CCN(C)CC1.CC1CCN(C)CC1.CC1CCNCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C2CC2)CC1.CN1CCN(C2CCC2)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1
• InChI: InChI=1S/2C9H18N2.2C8H16N2.C8H18N2.2C7H15N.3C6H14N2.3C6H13N.2CH4/c1-10-5-7-11(8-6-10)9-3-2-4-9;1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-4-6-10(7-5-9)8-2-3-8;1-9-5-6-10-4-2-3-8(10)7-9;1-8(2)10-6-4-9(3)5-7-10;1-7-3-5-8(2)6-4-7;1-8-6-4-2-3-5-7-8;3*1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;2*1-7-5-3-2-4-6-7;;/h2*9H,2-8H2,1H3;2*8H,2-7H2,1H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2-7H2,1H3;3*3-6H2,1-2H3;6-7H,2-5H2,1H3;2*2-6H2,1H3;2*1H4
• InChIKey: MGJUKERWDCFBCL-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 3
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1629.82
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine?

The IUPAC name of 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine (CID 159559252) is 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine.

What is the SMILES notation for 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine?

The canonical SMILES for 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine is C.C.CC(C)N1CCN(C)CC1.CC1CCN(C)CC1.CC1CCNCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C2CC2)CC1.CN1CCN(C2CCC2)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.

What is the InChIKey of 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine?

The InChIKey is MGJUKERWDCFBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.2C8H16N2.C8H18N2.2C7H15N.3C6H14N2.3C6H13N.2CH4/c1-10-5-7-11(8-6-10)9-3-2-4-9;1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-4-6-10(7-5-9)8-2-3-8;1-9-5-6-10-4-2-3-8(10)7-9;1-8(2)10-6-4-9(3)5-7-10;1-7-3-5-8(2)6-4-7;1-8-6-4-2-3-5-7-8;3*1-7-3-5-8(2)6-4-7;1-6-2-4-7-5-3-6;2*1-7-5-3-2-4-6-7;;/h2*9H,2-8H2,1H3;2*8H,2-7H2,1H3;8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2-7H2,1H3;3*3-6H2,1-2H3;6-7H,2-5H2,1H3;2*2-6H2,1H3;2*1H4.

What are the key properties of 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine?

1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 1629.82 g/mol, XLogP of 9.92, 3 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-4-methylpiperazine;1-cyclopropyl-4-methylpiperazine;tris(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;bis(1-methylpiperidine);4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 159559252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).