1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)

C24H56N6 — CID 160957043

IUPAC1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
SMILESC.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1
InChIInChI=1S/C6H14N2.2C6H13N.C5H12N2.CH4/c1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;/h3-6H2,1-2H3;2*2-6H2,1H3;6H,2-5H2,1H3;1H4
InChIKeySWNGPMWLQRQPRI-UHFFFAOYSA-N
MW428.75 g/mol
LogP2.23
Rot. Bonds

About 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)

1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine) (PubChem CID 160957043) has the molecular formula C24H56N6 and a molecular weight of 428.75 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine).

Molecular Properties

Compound Name1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
PubChem CID160957043
Molecular FormulaC24H56N6
Molecular Weight428.75 g/mol
Exact Mass428.46
IUPAC Name1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)
SMILESC.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1
InChIInChI=1S/C6H14N2.2C6H13N.C5H12N2.CH4/c1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;/h3-6H2,1-2H3;2*2-6H2,1H3;6H,2-5H2,1H3;1H4
InChIKeySWNGPMWLQRQPRI-UHFFFAOYSA-N
XLogP2.23
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)?
The IUPAC name of 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine) (CID 160957043) is 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine).
What is the SMILES notation for 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)?
The canonical SMILES for 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine) is C.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCNCC1.
What is the InChIKey of 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)?
The InChIKey is SWNGPMWLQRQPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2C6H13N.C5H12N2.CH4/c1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;/h3-6H2,1-2H3;2*2-6H2,1H3;6H,2-5H2,1H3;1H4.
What are the key properties of 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine)?
1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine) has a molecular weight of 428.75 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;methane;1-methylpiperazine;bis(1-methylpiperidine) is sourced from PubChem (CID 160957043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).