2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline

C18H25N3 — CID 64846709

IUPAC2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline
SMILESCCC1(C)CNC(C)CN1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H25N3/c1-4-18(3)13-19-14(2)11-21(18)12-16-10-9-15-7-5-6-8-17(15)20-16/h5-10,14,19H,4,11-13H2,1-3H3
InChIKeyNPGXURZUJXGXQB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.20
Rot. Bonds3

About 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline

2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline (PubChem CID 64846709) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline
PubChem CID64846709
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline
SMILESCCC1(C)CNC(C)CN1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H25N3/c1-4-18(3)13-19-14(2)11-21(18)12-16-10-9-15-7-5-6-8-17(15)20-16/h5-10,14,19H,4,11-13H2,1-3H3
InChIKeyNPGXURZUJXGXQB-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline (CID 64846709) is 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline is CCC1(C)CNC(C)CN1Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline?
The InChIKey is NPGXURZUJXGXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-18(3)13-19-14(2)11-21(18)12-16-10-9-15-7-5-6-8-17(15)20-16/h5-10,14,19H,4,11-13H2,1-3H3.
What are the key properties of 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline?
2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-2,5-dimethylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 64846709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).