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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine — IUPAC name, SMILES, InChIKey & properties

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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine

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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine (PubChem CID 159465427) has the molecular formula C111H246N24O and a molecular weight of 1933.36 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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine.

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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine
PubChem CID	159465427
Molecular Formula	C111H246N24O
Molecular Weight	1933.36 g/mol
Exact Mass	1931.99
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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine
SMILES	C.C.C.C.CC(C)N1CCN(C)CC1.CC1CC(C)CN(C)C1.CC1CCN(C)CC1.CC1CCNCC1.CC1CN(C)CC(C)N1C.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C2CC2)CC1.CN1CCN(C2CCC2)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCOCC1
InChI	InChI=1S/2C9H18N2.2C8H16N2.2C8H18N2.C8H17N.2C7H15N.3C6H14N2.2C6H13N.C5H11NO.4CH4/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;1-7-5-9(3)6-8(2)10(7)4;1-8(2)10-6-4-9(3)5-7-10;1-7-4-8(2)6-9(3)5-7;1-7-3-5-8(2)6-4-7;1-8-6-4-2-3-5-7-8;31-7-3-5-8(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;;;;/h29H,2-8H2,1H3;28H,2-7H2,1H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;2-7H2,1H3;33-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;4*1H4
InChIKey	LVCRMERYRUEBCZ-UHFFFAOYSA-N
XLogP	12.27
TPSA	95.78 Å²
H-Bond Donors	1
H-Bond Acceptors	25
Rotatable Bonds	3
Heavy Atoms	136
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1933.36
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Analyze 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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine with MolForge

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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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine?

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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine (CID 159465427) 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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine.

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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine?

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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine is C.C.C.C.CC(C)N1CCN(C)CC1.CC1CC(C)CN(C)C1.CC1CCN(C)CC1.CC1CCNCC1.CC1CN(C)CC(C)N1C.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C2CC2)CC1.CN1CCN(C2CCC2)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCOCC1.

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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine?

The InChIKey is LVCRMERYRUEBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.2C8H16N2.2C8H18N2.C8H17N.2C7H15N.3C6H14N2.2C6H13N.C5H11NO.4CH4/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;1-7-5-9(3)6-8(2)10(7)4;1-8(2)10-6-4-9(3)5-7-10;1-7-4-8(2)6-9(3)5-7;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;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;;;;/h2*9H,2-8H2,1H3;2*8H,2-7H2,1H3;7-8H,5-6H2,1-4H3;8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;2-7H2,1H3;3*3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;4*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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine?

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;4-methylmorpholine;1-methylpiperidine;4-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1,2,4,6-tetramethylpiperazine;1,3,5-trimethylpiperidine is sourced from PubChem (CID 159465427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).