1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane

C21H46N4 — CID 159612819

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
SMILESC.CC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C6H14N2.CH4/c3*1-7-3-5-8(2)6-4-7;/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3;1H4
InChIKeyMMXLQUHITIKBFX-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.12
Rot. Bonds

About 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane

1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane (PubChem CID 159612819) has the molecular formula C21H46N4 and a molecular weight of 354.63 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
PubChem CID159612819
Molecular FormulaC21H46N4
Molecular Weight354.63 g/mol
Exact Mass354.37
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane
SMILESC.CC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C6H14N2.CH4/c3*1-7-3-5-8(2)6-4-7;/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3;1H4
InChIKeyMMXLQUHITIKBFX-UHFFFAOYSA-N
XLogP3.12
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;1,4-dimethylpiperidine;methane?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane (CID 159612819) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane is C.CC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane?
The InChIKey is MMXLQUHITIKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H13N.C6H14N2.CH4/c3*1-7-3-5-8(2)6-4-7;/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3;1H4.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane?
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane has a molecular weight of 354.63 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane is sourced from PubChem (CID 159612819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).