1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane

C35H78N6 — CID 158587608

IUPAC1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane
SMILESC.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.3C7H15N.C6H13N.CH4/c1-3-9-6-4-8(2)5-7-9;3*1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;/h3-7H2,1-2H3;3*2-7H2,1H3;2-6H2,1H3;1H4
InChIKeyHUAGSRAOEZEZKF-UHFFFAOYSA-N
MW583.05 g/mol
LogP6.47
Rot. Bonds5

About 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane

1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane (PubChem CID 158587608) has the molecular formula C35H78N6 and a molecular weight of 583.05 g/mol. Its IUPAC name is 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane.

Molecular Properties

Compound Name1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane
PubChem CID158587608
Molecular FormulaC35H78N6
Molecular Weight583.05 g/mol
Exact Mass582.63
IUPAC Name1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane
SMILESC.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.3C7H15N.C6H13N.CH4/c1-3-9-6-4-8(2)5-7-9;3*1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;/h3-7H2,1-2H3;3*2-7H2,1H3;2-6H2,1H3;1H4
InChIKeyHUAGSRAOEZEZKF-UHFFFAOYSA-N
XLogP6.47
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.05
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane?
The IUPAC name of 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane (CID 158587608) is 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane.
What is the SMILES notation for 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane?
The canonical SMILES for 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane is C.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1.
What is the InChIKey of 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane?
The InChIKey is HUAGSRAOEZEZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.3C7H15N.C6H13N.CH4/c1-3-9-6-4-8(2)5-7-9;3*1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;/h3-7H2,1-2H3;3*2-7H2,1H3;2-6H2,1H3;1H4.
What are the key properties of 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane?
1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane has a molecular weight of 583.05 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylpiperazine;tris(1-ethylpiperidine);1-ethylpyrrolidine;methane is sourced from PubChem (CID 158587608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).