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

C21H46N4 — CID 159061452

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine
SMILESCC.CC1=CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H13N.C6H14N2.C6H13N.C2H6/c2*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-2/h3H,4-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;1-2H3
InChIKeyJYNDHVRPADWWRW-UHFFFAOYSA-N
MW354.63 g/mol
LogP3.26
Rot. Bonds

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

1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine (PubChem CID 159061452) 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;ethane;1-methylpiperidine.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine
PubChem CID159061452
Molecular FormulaC21H46N4
Molecular Weight354.63 g/mol
Exact Mass354.37
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine
SMILESCC.CC1=CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C7H13N.C6H14N2.C6H13N.C2H6/c2*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-2/h3H,4-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;1-2H3
InChIKeyJYNDHVRPADWWRW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

Lithium 1-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]benzene-2-id-1-yl]methyl]piperazine
CID 138967613
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperidine
CID 70027194
1-[2-(2-Piperidin-1-ylethyl)but-2-enyl]piperidine
CID 70027197
4-Ethylidene-1-(2-piperidin-1-ylethyl)piperidine
CID 129209134
1-[2-[1-(2-Butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine
CID 139498185
4-Ethylidene-1-methylpiperidine
CID 142106299
1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 154548754
1-[(2Z,6Z,10Z)-2,6-dimethyl-10-[(Z)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine
CID 154986371
lithium 1-[(2E,6Z,9Z,13E)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine
CID 155617678
1-[(2E,6Z,10Z)-2,6-dimethyl-10-[(E)-4-methyl-5-(4-methylpiperazin-1-yl)pent-3-enyl]hexadeca-2,6,10-trienyl]-4-methylpiperazine
CID 155617679
lithium 1-[(2Z,6Z,9Z,13Z)-6-hexylidene-10-methanidyl-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methylpiperazine
CID 156682909
1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
CID 157050848

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine (CID 159061452) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine is CC.CC1=CCN(C)CC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine?
The InChIKey is JYNDHVRPADWWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C6H14N2.C6H13N.C2H6/c2*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-2/h3H,4-6H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;1-2H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine?
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine has a molecular weight of 354.63 g/mol, XLogP of 3.26, 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;ethane;1-methylpiperidine is sourced from PubChem (CID 159061452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).