1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine

C83H190N18O3 — CID 158295316

IUPAC1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine
SMILESC.C.C.C.C.C.C.CC(=O)N1CCN(C)CC1.CC1CCN(C)CC1.CC1CCNCC1.CN1CCCCC1.CN1CCCNCC1.CN1CCN(C)CC1.CN1CCN(C2CCC2)CC1.CN1CCN(CCO)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCOCC1
InChIInChI=1S/2C9H18N2.C8H16N2.C7H14N2O.C7H16N2O.C7H15N.2C6H14N2.2C6H13N.C5H11NO.7CH4/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;1-9-5-6-10-4-2-3-8(10)7-9;1-7(10)9-5-3-8(2)4-6-9;1-8-2-4-9(5-3-8)6-7-10;2*1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;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;8H,2-7H2,1H3;3-6H2,1-2H3;10H,2-7H2,1H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;7*1H4
InChIKeyGLVMDKNAJXNSDM-UHFFFAOYSA-N
MW1488.56 g/mol
LogP8.61
Rot. Bonds3

About 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine

1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine (PubChem CID 158295316) has the molecular formula C83H190N18O3 and a molecular weight of 1488.56 g/mol. Its IUPAC name is 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine.

Molecular Properties

Compound Name1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine
PubChem CID158295316
Molecular FormulaC83H190N18O3
Molecular Weight1488.56 g/mol
Exact Mass1487.53
IUPAC Name1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine
SMILESC.C.C.C.C.C.C.CC(=O)N1CCN(C)CC1.CC1CCN(C)CC1.CC1CCNCC1.CN1CCCCC1.CN1CCCNCC1.CN1CCN(C)CC1.CN1CCN(C2CCC2)CC1.CN1CCN(CCO)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCOCC1
InChIInChI=1S/2C9H18N2.C8H16N2.C7H14N2O.C7H16N2O.C7H15N.2C6H14N2.2C6H13N.C5H11NO.7CH4/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;1-9-5-6-10-4-2-3-8(10)7-9;1-7(10)9-5-3-8(2)4-6-9;1-8-2-4-9(5-3-8)6-7-10;2*1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;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;8H,2-7H2,1H3;3-6H2,1-2H3;10H,2-7H2,1H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;7*1H4
InChIKeyGLVMDKNAJXNSDM-UHFFFAOYSA-N
XLogP8.61
TPSA122.43 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds3
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.56
LogP ≤ 58.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
1,4-dimethylpiperidine;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-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;4-methylpiperidine
CID 159662860
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;4-methylpiperidine
CID 160210577

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine?
The IUPAC name of 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine (CID 158295316) is 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine.
What is the SMILES notation for 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine?
The canonical SMILES for 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine is C.C.C.C.C.C.C.CC(=O)N1CCN(C)CC1.CC1CCN(C)CC1.CC1CCNCC1.CN1CCCCC1.CN1CCCNCC1.CN1CCN(C)CC1.CN1CCN(C2CCC2)CC1.CN1CCN(CCO)CC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCOCC1.
What is the InChIKey of 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine?
The InChIKey is GLVMDKNAJXNSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.C8H16N2.C7H14N2O.C7H16N2O.C7H15N.2C6H14N2.2C6H13N.C5H11NO.7CH4/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;1-9-5-6-10-4-2-3-8(10)7-9;1-7(10)9-5-3-8(2)4-6-9;1-8-2-4-9(5-3-8)6-7-10;2*1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;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;8H,2-7H2,1H3;3-6H2,1-2H3;10H,2-7H2,1H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;2-6H2,1H3;2-5H2,1H3;7*1H4.
What are the key properties of 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine?
1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine has a molecular weight of 1488.56 g/mol, XLogP of 8.61, 3 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methylpiperazine;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-methyl-1,4-diazepane;4-methylmorpholine;2-(4-methylpiperazin-1-yl)ethanol;1-(4-methylpiperazin-1-yl)ethanone;1-methylpiperidine;4-methylpiperidine is sourced from PubChem (CID 158295316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).