1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine

C22H50N4 — CID 159145888

IUPAC1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
SMILESCC.CC.CN1CC=CCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.C6H11N.2C2H6/c1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;2*1-2/h3-6H2,1-2H3;2-6H2,1H3;2-3H,4-6H2,1H3;2*1-2H3
InChIKeyKIRBJMSBIAPEDC-UHFFFAOYSA-N
MW370.67 g/mol
LogP3.90
Rot. Bonds

About 1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine

1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine (PubChem CID 159145888) has the molecular formula C22H50N4 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
PubChem CID159145888
Molecular FormulaC22H50N4
Molecular Weight370.67 g/mol
Exact Mass370.40
IUPAC Name1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
SMILESCC.CC.CN1CC=CCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.C6H11N.2C2H6/c1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;2*1-2/h3-6H2,1-2H3;2-6H2,1H3;2-3H,4-6H2,1H3;2*1-2H3
InChIKeyKIRBJMSBIAPEDC-UHFFFAOYSA-N
XLogP3.90
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 53.90
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-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine (CID 159145888) is 1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine is CC.CC.CN1CC=CCC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
The InChIKey is KIRBJMSBIAPEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.C6H11N.2C2H6/c1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;2*1-2/h3-6H2,1-2H3;2-6H2,1H3;2-3H,4-6H2,1H3;2*1-2H3.
What are the key properties of 1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine has a molecular weight of 370.67 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine is sourced from PubChem (CID 159145888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).