1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C41H61N5 — CID 91560179

IUPAC1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C)C(C)C2)cc1.Cc1ccc(N2CCN3CCCCC3C2)cc1
InChIInChI=1S/C15H22N2.C13H20N2.C13H19N/c1-13-5-7-14(8-6-13)17-11-10-16-9-3-2-4-15(16)12-17;1-11-4-6-13(7-5-11)15-9-8-14(3)12(2)10-15;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13/h5-8,15H,2-4,9-12H2,1H3;4-7,12H,8-10H2,1-3H3;3-6,13H,7-10H2,1-2H3
InChIKeyZUDHXXGIEJJEAF-UHFFFAOYSA-N
MW623.97 g/mol
LogP7.61
Rot. Bonds3

About 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 91560179) has the molecular formula C41H61N5 and a molecular weight of 623.97 g/mol. Its IUPAC name is 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID91560179
Molecular FormulaC41H61N5
Molecular Weight623.97 g/mol
Exact Mass623.49
IUPAC Name1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C)C(C)C2)cc1.Cc1ccc(N2CCN3CCCCC3C2)cc1
InChIInChI=1S/C15H22N2.C13H20N2.C13H19N/c1-13-5-7-14(8-6-13)17-11-10-16-9-3-2-4-15(16)12-17;1-11-4-6-13(7-5-11)15-9-8-14(3)12(2)10-15;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13/h5-8,15H,2-4,9-12H2,1H3;4-7,12H,8-10H2,1-3H3;3-6,13H,7-10H2,1-2H3
InChIKeyZUDHXXGIEJJEAF-UHFFFAOYSA-N
XLogP7.61
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.97
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-4-(4-methylphenyl)piperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)azepane;1-(4-methylphenyl)piperidine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
CID 157368448
1-cyclopropyl-4-(4-methylphenyl)piperidine;1,2-dimethyl-4-(4-methylphenyl)piperazine;(3S,5R)-3,5-dimethyl-1-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperazine;(2R,6S)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
CID 158228834
1-cyclopropyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;2-(4-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;1-(4-methylphenyl)-1,4-diazepane;1-(4-methylphenyl)piperidine;2-(5-methylthiophen-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;(2S,6R)-1,2,6-trimethyl-4-(4-methylphenyl)piperazine
CID 159229911
1,4-dimethylcyclohexane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167566334
1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167698889
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
1-cyclopentyl-4-(4-methylphenyl)piperidine
CID 118146215
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine
CID 134579505
2-(4-propan-2-ylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929962
1-cyclobutyl-4-(4-methylphenyl)piperidine
CID 118136109
2-(4-tert-butylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930919

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 91560179) is 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C)C(C)C2)cc1.Cc1ccc(N2CCN3CCCCC3C2)cc1.
What is the InChIKey of 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is ZUDHXXGIEJJEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.C13H20N2.C13H19N/c1-13-5-7-14(8-6-13)17-11-10-16-9-3-2-4-15(16)12-17;1-11-4-6-13(7-5-11)15-9-8-14(3)12(2)10-15;1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13/h5-8,15H,2-4,9-12H2,1H3;4-7,12H,8-10H2,1-3H3;3-6,13H,7-10H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 623.97 g/mol, XLogP of 7.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine;2-(4-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 91560179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).