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

C27H57N5 — CID 159527241

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.C7H13N.C6H14N2/c4*1-7-3-5-8(2)6-4-7/h2*7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3
InChIKeyMCNQAZJNLYGRIW-UHFFFAOYSA-N
MW451.79 g/mol
LogP3.83
Rot. Bonds

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

1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (PubChem CID 159527241) has the molecular formula C27H57N5 and a molecular weight of 451.79 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
PubChem CID159527241
Molecular FormulaC27H57N5
Molecular Weight451.79 g/mol
Exact Mass451.46
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.C7H13N.C6H14N2/c4*1-7-3-5-8(2)6-4-7/h2*7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3
InChIKeyMCNQAZJNLYGRIW-UHFFFAOYSA-N
XLogP3.83
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.79
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (CID 159527241) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The InChIKey is MCNQAZJNLYGRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.C7H13N.C6H14N2/c4*1-7-3-5-8(2)6-4-7/h2*7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) has a molecular weight of 451.79 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is sourced from PubChem (CID 159527241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).