1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine

C26H60N8O — CID 161484247

IUPAC1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine
SMILESCN1CCC(N2CCCCC2)CC1.CN1CCN(C)CC1.CN1CCN(COCN)CC1.CNC
InChIInChI=1S/C11H22N2.C7H17N3O.C6H14N2.C2H7N/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-9-2-4-10(5-3-9)7-11-6-8;1-7-3-5-8(2)6-4-7;1-3-2/h11H,2-10H2,1H3;2-8H2,1H3;3-6H2,1-2H3;3H,1-2H3
InChIKeyWETOLFZRNVOSAO-UHFFFAOYSA-N
MW500.82 g/mol
LogP0.39
Rot. Bonds4

About 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine

1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine (PubChem CID 161484247) has the molecular formula C26H60N8O and a molecular weight of 500.82 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine
PubChem CID161484247
Molecular FormulaC26H60N8O
Molecular Weight500.82 g/mol
Exact Mass500.49
IUPAC Name1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine
SMILESCN1CCC(N2CCCCC2)CC1.CN1CCN(C)CC1.CN1CCN(COCN)CC1.CNC
InChIInChI=1S/C11H22N2.C7H17N3O.C6H14N2.C2H7N/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-9-2-4-10(5-3-9)7-11-6-8;1-7-3-5-8(2)6-4-7;1-3-2/h11H,2-10H2,1H3;2-8H2,1H3;3-6H2,1-2H3;3H,1-2H3
InChIKeyWETOLFZRNVOSAO-UHFFFAOYSA-N
XLogP0.39
TPSA66.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.82
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine with MolForge

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Related Compounds

ethane;1-methyl-4-piperidin-1-ylpiperidine;propane
CID 143818996
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2-[(4-methylpiperazin-1-yl)methoxy]ethanamine
CID 174243324
2-piperidin-1-ylethyl 3-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
CID 58135935
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
ethane;1-(1-methylpyrrolidin-3-yl)azepane
CID 142272859
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
CID 171394437
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
CID 65075116
ethane;N-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 166167704
1-methyl-4-[(1-methylpiperidin-4-yl)oxymethyl]piperazine
CID 146180819

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine (CID 161484247) is 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine is CN1CCC(N2CCCCC2)CC1.CN1CCN(C)CC1.CN1CCN(COCN)CC1.CNC.
What is the InChIKey of 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine?
The InChIKey is WETOLFZRNVOSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C7H17N3O.C6H14N2.C2H7N/c1-12-9-5-11(6-10-12)13-7-3-2-4-8-13;1-9-2-4-10(5-3-9)7-11-6-8;1-7-3-5-8(2)6-4-7;1-3-2/h11H,2-10H2,1H3;2-8H2,1H3;3-6H2,1-2H3;3H,1-2H3.
What are the key properties of 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine?
1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine has a molecular weight of 500.82 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;N-methylmethanamine;(4-methylpiperazin-1-yl)methoxymethanamine;1-methyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 161484247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).