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

C33H78N6 — CID 161123562

IUPAC1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCC.CC.CC.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.2C6H13N.C5H11N.C4H9N.3C2H6/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;1-5-3-2-4-5;3*1-2/h3-6H2,1-2H3;2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;3*1-2H3
InChIKeyULGNJCDHMIMJAJ-UHFFFAOYSA-N
MW559.03 g/mol
LogP6.18
Rot. Bonds

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

1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 161123562) has the molecular formula C33H78N6 and a molecular weight of 559.03 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID161123562
Molecular FormulaC33H78N6
Molecular Weight559.03 g/mol
Exact Mass558.63
IUPAC Name1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESCC.CC.CC.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C6H14N2.2C6H13N.C5H11N.C4H9N.3C2H6/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;1-5-3-2-4-5;3*1-2/h3-6H2,1-2H3;2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;3*1-2H3
InChIKeyULGNJCDHMIMJAJ-UHFFFAOYSA-N
XLogP6.18
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.03
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of 1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine (CID 161123562) is 1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine is CC.CC.CC.CN1CCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is ULGNJCDHMIMJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2C6H13N.C5H11N.C4H9N.3C2H6/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;1-5-3-2-4-5;3*1-2/h3-6H2,1-2H3;2*2-6H2,1H3;2-5H2,1H3;2-4H2,1H3;3*1-2H3.
What are the key properties of 1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine?
1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 559.03 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;ethane;1-methylazetidine;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 161123562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).