1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine

C32H52N4 — CID 167698889

IUPAC1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
SMILESCC1CCN(C)CC1.Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C13H19N.C12H18N2.C7H15N/c1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-7-3-5-8(2)6-4-7/h3-6,13H,7-10H2,1-2H3;3-6H,7-10H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyYBPRVMJFNLXBOS-UHFFFAOYSA-N
MW492.80 g/mol
LogP5.90
Rot. Bonds2

About 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine

1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine (PubChem CID 167698889) has the molecular formula C32H52N4 and a molecular weight of 492.80 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
PubChem CID167698889
Molecular FormulaC32H52N4
Molecular Weight492.80 g/mol
Exact Mass492.42
IUPAC Name1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
SMILESCC1CCN(C)CC1.Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C13H19N.C12H18N2.C7H15N/c1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-7-3-5-8(2)6-4-7/h3-6,13H,7-10H2,1-2H3;3-6H,7-10H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyYBPRVMJFNLXBOS-UHFFFAOYSA-N
XLogP5.90
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.80
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethylcyclohexane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167566334
bis(1-ethyl-4-methylpiperidine);1-(4-ethylphenyl)-4-methylpiperazine;4-(4-ethylphenyl)-1-methylpiperidine
CID 167649681
1-(4-cyclohexylphenyl)-4-methylpiperazine
CID 142618423
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
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
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethyl propanoate;heptan-4-one;hexan-3-one;1-methyl-4-(4-methylphenyl)piperazine
CID 167615842
2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole
CID 71171325
1-(1-methylazetidin-3-yl)-4-(4-methylphenyl)piperidine
CID 134579505
CID 145001791
CID 145001791
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine?
The IUPAC name of 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine (CID 167698889) is 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine.
What is the SMILES notation for 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine?
The canonical SMILES for 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine is CC1CCN(C)CC1.Cc1ccc(C2CCN(C)CC2)cc1.Cc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine?
The InChIKey is YBPRVMJFNLXBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C12H18N2.C7H15N/c1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;1-7-3-5-8(2)6-4-7/h3-6,13H,7-10H2,1-2H3;3-6H,7-10H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine?
1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine has a molecular weight of 492.80 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine is sourced from PubChem (CID 167698889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).