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

C23H54N4 — CID 157050848

IUPAC1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
SMILESC.CC.CC.CN1CC=CCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.C6H11N.2C2H6.CH4/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;1H4
InChIKeyAAEOAAPAZQHYMY-UHFFFAOYSA-N
MW386.71 g/mol
LogP4.53
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 157050848) has the molecular formula C23H54N4 and a molecular weight of 386.71 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 CID157050848
Molecular FormulaC23H54N4
Molecular Weight386.71 g/mol
Exact Mass386.43
IUPAC Name1,4-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
SMILESC.CC.CC.CN1CC=CCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.C6H13N.C6H11N.2C2H6.CH4/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;1H4
InChIKeyAAEOAAPAZQHYMY-UHFFFAOYSA-N
XLogP4.53
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.71
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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Related Compounds

1-[4-[3-(dimethylamino)piperidin-1-yl]but-2-enyl]-N,N-dimethylpiperidin-3-amine
CID 126802479
1-(2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyridine
CID 141124795
1-(10-Piperidin-1-yldeca-2,8-dienyl)piperidine
CID 142761180
1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 154548754
1-Tert-butylpiperazin-4-ide;1-tert-butylpiperidin-4-ide;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;tungsten
CID 157721552
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine
CID 158248494
N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(9Z,12Z)-octadeca-9,12-dienyl]ethane-1,2-diamine;N'-[2-[4-[2-(didodecylamino)ethyl]piperazin-1-yl]ethyl]-N,N,N'-tris[(Z)-octadec-9-enyl]ethane-1,2-diamine
CID 158726899
1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane
CID 158905108
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 159061452
1,4-dimethylpiperazine;ethane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
CID 159145888
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane
CID 159241822
ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine
CID 159499726

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 157050848) 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.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 AAEOAAPAZQHYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C6H13N.C6H11N.2C2H6.CH4/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;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 386.71 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-dimethylpiperazine;ethane;methane;1-methyl-3,6-dihydro-2H-pyridine;1-methylpiperidine is sourced from PubChem (CID 157050848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).