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

C46H99N11O — CID 159662860

IUPAC1,4-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
SMILESCC1CCN(C)CC1.CC1CCNCC1.CN1CCCNCC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C9H18N2.C8H16N2.C7H15N.C6H14N2.C6H13N.C5H12N2.C5H11NO/c1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-5-6-10-4-2-3-8(10)7-9;1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6/h9H,2-8H2,1H3;8H,2-7H2,1H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;2-5H2,1H3
InChIKeyMTALTYLNQGTBLK-UHFFFAOYSA-N
MW822.37 g/mol
LogP2.92
Rot. Bonds

About 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

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 (PubChem CID 159662860) has the molecular formula C46H99N11O and a molecular weight of 822.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID159662860
Molecular FormulaC46H99N11O
Molecular Weight822.37 g/mol
Exact Mass821.80
IUPAC Name1,4-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
SMILESCC1CCN(C)CC1.CC1CCNCC1.CN1CCCNCC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C9H18N2.C8H16N2.C7H15N.C6H14N2.C6H13N.C5H12N2.C5H11NO/c1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-5-6-10-4-2-3-8(10)7-9;1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6/h9H,2-8H2,1H3;8H,2-7H2,1H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;2-5H2,1H3
InChIKeyMTALTYLNQGTBLK-UHFFFAOYSA-N
XLogP2.92
TPSA71.24 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.37
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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 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
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157192131
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
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
bis(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;bis(1-methylpiperidine);4-methylpiperidine
CID 159314786
bis(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 159363688
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
bis(1,4-dimethylpiperazine);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-methylazepane;bis(1-methylpiperidine);4-methylpiperidine
CID 159931852
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;1-methyl-4-methylsulfonylpiperazine;4-methylmorpholine;1-methylpiperazine;2-(4-methylpiperazin-1-yl)ethanol;4-methylpiperidine
CID 159968202
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
1,4-Dimethylpiperidine;2-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-methyl-1,4-diazepane;4-methylmorpholine;4-methylpiperidine
CID 161249004
1,4-Dimethylpiperazine;bis(1,4-dimethylpiperidine);2,5-dimethylpiperidine;1,2-dimethylpyrrolidine;1-methylazepane;4-methylmorpholine;1-methylpyrrolidine
CID 161721234

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCN(C)CC1.CC1CCNCC1.CN1CCCNCC1.CN1CCN2CCCC2C1.CN1CCN2CCCCC2C1.CN1CCNCC1.CN1CCOCC1.
What is the InChIKey of 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?
The InChIKey is MTALTYLNQGTBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C8H16N2.C7H15N.C6H14N2.C6H13N.C5H12N2.C5H11NO/c1-10-6-7-11-5-3-2-4-9(11)8-10;1-9-5-6-10-4-2-3-8(10)7-9;1-7-3-5-8(2)6-4-7;1-8-5-2-3-7-4-6-8;1-6-2-4-7-5-3-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6/h9H,2-8H2,1H3;8H,2-7H2,1H3;7H,3-6H2,1-2H3;7H,2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;2-5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 822.37 g/mol, XLogP of 2.92, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159662860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).