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

C24H55N5 — CID 158178488

IUPAC1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.2C6H13N.C5H11N.CH4/c1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h3-6H2,1-2H3;2*2-6H2,1H3;2-5H2,1H3;1H4
InChIKeyFYHCAPBVJRLEAU-UHFFFAOYSA-N
MW413.74 g/mol
LogP3.42
Rot. Bonds

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

1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 158178488) has the molecular formula C24H55N5 and a molecular weight of 413.74 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID158178488
Molecular FormulaC24H55N5
Molecular Weight413.74 g/mol
Exact Mass413.45
IUPAC Name1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.2C6H13N.C5H11N.CH4/c1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h3-6H2,1-2H3;2*2-6H2,1H3;2-5H2,1H3;1H4
InChIKeyFYHCAPBVJRLEAU-UHFFFAOYSA-N
XLogP3.42
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.74
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine (CID 158178488) is 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine is C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is FYHCAPBVJRLEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2C6H13N.C5H11N.CH4/c1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;/h3-6H2,1-2H3;2*2-6H2,1H3;2-5H2,1H3;1H4.
What are the key properties of 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine?
1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 413.74 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 158178488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).