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

C25H62N4 — CID 159850323

IUPAC1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
SMILESC.C.C.CC.CC.CN1CC=CCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.C6H11N.2C2H6.3CH4/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;3*1H4
InChIKeyNPVRDUJHRFWDQS-UHFFFAOYSA-N
MW418.80 g/mol
LogP5.80
Rot. Bonds

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

1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine (PubChem CID 159850323) has the molecular formula C25H62N4 and a molecular weight of 418.80 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
PubChem CID159850323
Molecular FormulaC25H62N4
Molecular Weight418.80 g/mol
Exact Mass418.50
IUPAC Name1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
SMILESC.C.C.CC.CC.CN1CC=CCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.C6H11N.2C2H6.3CH4/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;3*1H4
InChIKeyNPVRDUJHRFWDQS-UHFFFAOYSA-N
XLogP5.80
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.80
LogP ≤ 55.80
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;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine (CID 159850323) is 1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine is C.C.C.CC.CC.CN1CC=CCC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
The InChIKey is NPVRDUJHRFWDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.C6H11N.2C2H6.3CH4/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;3*1H4.
What are the key properties of 1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine?
1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine has a molecular weight of 418.80 g/mol, XLogP of 5.80, 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;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine is sourced from PubChem (CID 159850323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).