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

C86H187N19 — CID 158140609

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-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 (PubChem CID 158140609) has the molecular formula C86H187N19 and a molecular weight of 1487.57 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.

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
• PubChem CID: 158140609
• Molecular Formula: C86H187N19
• Molecular Weight: 1487.57 g/mol
• Exact Mass: 1486.52
• 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
• SMILES: C.C.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/2C9H18N2.2C8H16N2.2C7H15N.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;1-7-3-5-8(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;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: FTWUHCIQFZUIOX-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 70.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 2
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1487.57
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

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?

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 (CID 158140609) 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.

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?

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 is C.C.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?

The InChIKey is FTWUHCIQFZUIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.2C8H16N2.2C7H15N.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;1-7-3-5-8(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;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-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 has a molecular weight of 1487.57 g/mol, XLogP of 9.28, 2 rotatable bonds, 1 hydrogen bond donors, and 19 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 is sourced from PubChem (CID 158140609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).