1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride

C16H32Cl2N4O2 — CID 45260181

IUPAC1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride
SMILESCN1CCN(C(=O)CCCCC(=O)N2CCN(C)CC2)CC1.Cl.Cl
InChIInChI=1S/C16H30N4O2.2ClH/c1-17-7-11-19(12-8-17)15(21)5-3-4-6-16(22)20-13-9-18(2)10-14-20;;/h3-14H2,1-2H3;2*1H
InChIKeyVJQBSHRTGHPNSC-UHFFFAOYSA-N
MW383.36 g/mol
LogP0.94
Rot. Bonds5

About 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride

1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride (PubChem CID 45260181) has the molecular formula C16H32Cl2N4O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride.

Molecular Properties

Compound Name1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride
PubChem CID45260181
Molecular FormulaC16H32Cl2N4O2
Molecular Weight383.36 g/mol
Exact Mass382.19
IUPAC Name1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride
SMILESCN1CCN(C(=O)CCCCC(=O)N2CCN(C)CC2)CC1.Cl.Cl
InChIInChI=1S/C16H30N4O2.2ClH/c1-17-7-11-19(12-8-17)15(21)5-3-4-6-16(22)20-13-9-18(2)10-14-20;;/h3-14H2,1-2H3;2*1H
InChIKeyVJQBSHRTGHPNSC-UHFFFAOYSA-N
XLogP0.94
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,10-Bis(4-methylpiperazin-1-yl)decane-1,10-dione
CID 58174
Piperazine, 1,4-dihexanoyl-
CID 205871
Piperazine, 1,4-diheptanoyl-
CID 205872
1,6-Bis(4,4-dimethylpiperazin-4-ium-1-yl)hexane-1,6-dione dibromide
CID 44293316
Iem 1054
CID 6454139
1,6-bis[(2R)-2-methylpiperidin-1-yl]hexane-1,6-dione
CID 40435918
1,6-Bis(2,4-dimethylpiperazin-1-yl)hexane-1,6-dione
CID 56804191
1,6-Bis(4-methylpiperazin-1-yl)hexane-1,6-dione
CID 3455784
1,6-Di(piperidin-1-yl)hexane-1,6-dione
CID 350478
1,6-Bis(4-ethylpiperazin-1-yl)-2,2,3,3,4,4,5,5-octafluorohexane-1,6-dione
CID 4607106
2,2,3,3,4,4,5,5-Octafluoro-1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione
CID 4692347
1,6-Bis(4,4-dimethylpiperazin-4-ium-1-yl)hexane-1,6-dione
CID 44293317

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride?
The IUPAC name of 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride (CID 45260181) is 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride.
What is the SMILES notation for 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride?
The canonical SMILES for 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride is CN1CCN(C(=O)CCCCC(=O)N2CCN(C)CC2)CC1.Cl.Cl.
What is the InChIKey of 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride?
The InChIKey is VJQBSHRTGHPNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.2ClH/c1-17-7-11-19(12-8-17)15(21)5-3-4-6-16(22)20-13-9-18(2)10-14-20;;/h3-14H2,1-2H3;2*1H.
What are the key properties of 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride?
1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride has a molecular weight of 383.36 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-methylpiperazin-1-yl)hexane-1,6-dione;dihydrochloride is sourced from PubChem (CID 45260181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).