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

C26H63N5 — CID 157461988

IUPAC1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.2C6H13N.C5H11N.3CH4/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;3*1H4
InChIKeyBUAMCHRGANOKTI-UHFFFAOYSA-N
MW445.83 g/mol
LogP4.69
Rot. Bonds

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

1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 157461988) has the molecular formula C26H63N5 and a molecular weight of 445.83 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 CID157461988
Molecular FormulaC26H63N5
Molecular Weight445.83 g/mol
Exact Mass445.51
IUPAC Name1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.2C6H13N.C5H11N.3CH4/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;3*1H4
InChIKeyBUAMCHRGANOKTI-UHFFFAOYSA-N
XLogP4.69
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.83
LogP ≤ 54.69
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 157461988) 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.C.C.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is BUAMCHRGANOKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2C6H13N.C5H11N.3CH4/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;3*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 445.83 g/mol, XLogP of 4.69, 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 157461988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).