tris(1-ethyl-4-methylpiperazine);1-methylpiperidine

C27H61N7 — CID 158393353

IUPACtris(1-ethyl-4-methylpiperazine);1-methylpiperidine
SMILESCCN1CCN(C)CC1.CCN1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCCCC1
InChIInChI=1S/3C7H16N2.C6H13N/c3*1-3-9-6-4-8(2)5-7-9;1-7-5-3-2-4-6-7/h3*3-7H2,1-2H3;2-6H2,1H3
InChIKeyGXFWPCBPGDWNRI-UHFFFAOYSA-N
MW483.83 g/mol
LogP1.86
Rot. Bonds3

About tris(1-ethyl-4-methylpiperazine);1-methylpiperidine

tris(1-ethyl-4-methylpiperazine);1-methylpiperidine (PubChem CID 158393353) has the molecular formula C27H61N7 and a molecular weight of 483.83 g/mol. Its IUPAC name is tris(1-ethyl-4-methylpiperazine);1-methylpiperidine.

Molecular Properties

Compound Nametris(1-ethyl-4-methylpiperazine);1-methylpiperidine
PubChem CID158393353
Molecular FormulaC27H61N7
Molecular Weight483.83 g/mol
Exact Mass483.50
IUPAC Nametris(1-ethyl-4-methylpiperazine);1-methylpiperidine
SMILESCCN1CCN(C)CC1.CCN1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCCCC1
InChIInChI=1S/3C7H16N2.C6H13N/c3*1-3-9-6-4-8(2)5-7-9;1-7-5-3-2-4-6-7/h3*3-7H2,1-2H3;2-6H2,1H3
InChIKeyGXFWPCBPGDWNRI-UHFFFAOYSA-N
XLogP1.86
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.83
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tris(1-ethyl-4-methylpiperazine);1-methylpiperidine?
The IUPAC name of tris(1-ethyl-4-methylpiperazine);1-methylpiperidine (CID 158393353) is tris(1-ethyl-4-methylpiperazine);1-methylpiperidine.
What is the SMILES notation for tris(1-ethyl-4-methylpiperazine);1-methylpiperidine?
The canonical SMILES for tris(1-ethyl-4-methylpiperazine);1-methylpiperidine is CCN1CCN(C)CC1.CCN1CCN(C)CC1.CCN1CCN(C)CC1.CN1CCCCC1.
What is the InChIKey of tris(1-ethyl-4-methylpiperazine);1-methylpiperidine?
The InChIKey is GXFWPCBPGDWNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H16N2.C6H13N/c3*1-3-9-6-4-8(2)5-7-9;1-7-5-3-2-4-6-7/h3*3-7H2,1-2H3;2-6H2,1H3.
What are the key properties of tris(1-ethyl-4-methylpiperazine);1-methylpiperidine?
tris(1-ethyl-4-methylpiperazine);1-methylpiperidine has a molecular weight of 483.83 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-ethyl-4-methylpiperazine);1-methylpiperidine is sourced from PubChem (CID 158393353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).