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

C48H117N7 — CID 159492489

IUPAC1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane
SMILESC.C.C.C.C.C.C.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.4C7H15N.C6H13N.7CH4/c1-3-9-6-4-8(2)5-7-9;4*1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;;;;;;;/h3-7H2,1-2H3;4*2-7H2,1H3;2-6H2,1H3;7*1H4
InChIKeyLYJFWLVNYUTNLU-UHFFFAOYSA-N
MW792.51 g/mol
LogP11.78
Rot. Bonds6

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

1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane (PubChem CID 159492489) has the molecular formula C48H117N7 and a molecular weight of 792.51 g/mol. Its IUPAC name is 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane.

Molecular Properties

Compound Name1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane
PubChem CID159492489
Molecular FormulaC48H117N7
Molecular Weight792.51 g/mol
Exact Mass791.94
IUPAC Name1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane
SMILESC.C.C.C.C.C.C.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.4C7H15N.C6H13N.7CH4/c1-3-9-6-4-8(2)5-7-9;4*1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;;;;;;;/h3-7H2,1-2H3;4*2-7H2,1H3;2-6H2,1H3;7*1H4
InChIKeyLYJFWLVNYUTNLU-UHFFFAOYSA-N
XLogP11.78
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.51
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane?
The IUPAC name of 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane (CID 159492489) is 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane.
What is the SMILES notation for 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane?
The canonical SMILES for 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane is C.C.C.C.C.C.C.CCN1CCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCN(C)CC1.
What is the InChIKey of 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane?
The InChIKey is LYJFWLVNYUTNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.4C7H15N.C6H13N.7CH4/c1-3-9-6-4-8(2)5-7-9;4*1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-7;;;;;;;/h3-7H2,1-2H3;4*2-7H2,1H3;2-6H2,1H3;7*1H4.
What are the key properties of 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane?
1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane has a molecular weight of 792.51 g/mol, XLogP of 11.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylpiperazine;tetrakis(1-ethylpiperidine);1-ethylpyrrolidine;methane is sourced from PubChem (CID 159492489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).