1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine

C26H56N6 — CID 160597451

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.2C6H14N2/c4*1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-6H2,1-2H3
InChIKeyRDVAEFZTEKVPNE-UHFFFAOYSA-N
MW452.78 g/mol
LogP2.34
Rot. Bonds

About 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine

1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine (PubChem CID 160597451) has the molecular formula C26H56N6 and a molecular weight of 452.78 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine
PubChem CID160597451
Molecular FormulaC26H56N6
Molecular Weight452.78 g/mol
Exact Mass452.46
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.2C6H14N2/c4*1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-6H2,1-2H3
InChIKeyRDVAEFZTEKVPNE-UHFFFAOYSA-N
XLogP2.34
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.78
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine with MolForge

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Related Compounds

1-[2-[1-(2-Butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine
CID 139498185
2-[1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1-azabicyclo[2.2.2]octane
CID 155459600
bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;1-methylpiperidin-4-ide;tungsten
CID 157495430
methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 157598202
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine
CID 158143139
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine
CID 158248494
4,4-dimethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine
CID 158283976
1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane
CID 158905108
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 159061452
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane
CID 159241822
bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
CID 159263145
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
CID 159328824

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine (CID 160597451) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine is CC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine?
The InChIKey is RDVAEFZTEKVPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H13N.2C6H14N2/c4*1-7-3-5-8(2)6-4-7/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;2*3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine?
1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine has a molecular weight of 452.78 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine;bis(1,4-dimethylpiperazine);1,4-dimethylpiperidine is sourced from PubChem (CID 160597451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).