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 — 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 — 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-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 (PubChem CID 157109949) has the molecular formula C84H181N19O and a molecular weight of 1473.50 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.

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
PubChem CID	157109949
Molecular Formula	C84H181N19O
Molecular Weight	1473.50 g/mol
Exact Mass	1472.47
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
SMILES	C.CC1CCN(C)CC1.CC1CCNCC1.CN1CCCCC1.CN1CCCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C2CC2)CC1.CN1CCN(C2CCC2)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCOCC1
InChI	InChI=1S/2C9H18N2.2C8H16N2.2C7H15N.3C6H14N2.2C6H13N.C5H11NO.CH4/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;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;7H,3-6H2,1-2H3;2-7H2,1H3;33-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;1H4
InChIKey	AGSQZQAMXKWCAQ-UHFFFAOYSA-N
XLogP	7.49
TPSA	79.58 Å²
H-Bond Donors	1
H-Bond Acceptors	20
Rotatable Bonds	2
Heavy Atoms	104
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1473.50
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

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 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?

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 (CID 157109949) 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.

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?

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 is C.CC1CCN(C)CC1.CC1CCNCC1.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?

The InChIKey is AGSQZQAMXKWCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.2C8H16N2.2C7H15N.3C6H14N2.2C6H13N.C5H11NO.CH4/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;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;7H,3-6H2,1-2H3;2-7H2,1H3;3*3-6H2,1-2H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;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?

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 is sourced from PubChem (CID 157109949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).