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

C23H52N6 — CID 157439064

IUPACbis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C6H14N2.C6H13N.C5H11N/c2*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2*3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3
InChIKeyBRLJZRRXJLFADU-UHFFFAOYSA-N
MW412.71 g/mol
LogP1.54
Rot. Bonds

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

bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine (PubChem CID 157439064) has the molecular formula C23H52N6 and a molecular weight of 412.71 g/mol. Its IUPAC name is bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine.

Molecular Properties

Compound Namebis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine
PubChem CID157439064
Molecular FormulaC23H52N6
Molecular Weight412.71 g/mol
Exact Mass412.43
IUPAC Namebis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C6H14N2.C6H13N.C5H11N/c2*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2*3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3
InChIKeyBRLJZRRXJLFADU-UHFFFAOYSA-N
XLogP1.54
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine?
The IUPAC name of bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine (CID 157439064) is bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine.
What is the SMILES notation for bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine?
The canonical SMILES for bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine is CN1CCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine?
The InChIKey is BRLJZRRXJLFADU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14N2.C6H13N.C5H11N/c2*1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h2*3-6H2,1-2H3;2-6H2,1H3;2-5H2,1H3.
What are the key properties of bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine?
bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine has a molecular weight of 412.71 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine is sourced from PubChem (CID 157439064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).