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

C24H54N4 — CID 159241822

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane
SMILESCC.CC.CC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C6H14N2.2C2H6/c3*1-7-3-5-8(2)6-4-7;2*1-2/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3;2*1-2H3
InChIKeyKUEQATROQWJBIC-UHFFFAOYSA-N
MW398.72 g/mol
LogP4.53
Rot. Bonds

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

1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane (PubChem CID 159241822) has the molecular formula C24H54N4 and a molecular weight of 398.72 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane
PubChem CID159241822
Molecular FormulaC24H54N4
Molecular Weight398.72 g/mol
Exact Mass398.43
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane
SMILESCC.CC.CC1=CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C6H14N2.2C2H6/c3*1-7-3-5-8(2)6-4-7;2*1-2/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3;2*1-2H3
InChIKeyKUEQATROQWJBIC-UHFFFAOYSA-N
XLogP4.53
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.72
LogP ≤ 54.53
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;ethane?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane (CID 159241822) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane is CC.CC.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;ethane?
The InChIKey is KUEQATROQWJBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H13N.C6H14N2.2C2H6/c3*1-7-3-5-8(2)6-4-7;2*1-2/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3;2*1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane?
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane has a molecular weight of 398.72 g/mol, XLogP of 4.53, 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;ethane is sourced from PubChem (CID 159241822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).