2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline

C18H25N3 — CID 79232801

IUPAC2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline
SMILESCc1cc(CN2CC(C)NCC2(C)C)c2ccccc2n1
InChIInChI=1S/C18H25N3/c1-13-9-15(16-7-5-6-8-17(16)20-13)11-21-10-14(2)19-12-18(21,3)4/h5-9,14,19H,10-12H2,1-4H3
InChIKeyRIACNNWKBNUKOY-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.12
Rot. Bonds2

About 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline

2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline (PubChem CID 79232801) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline
PubChem CID79232801
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline
SMILESCc1cc(CN2CC(C)NCC2(C)C)c2ccccc2n1
InChIInChI=1S/C18H25N3/c1-13-9-15(16-7-5-6-8-17(16)20-13)11-21-10-14(2)19-12-18(21,3)4/h5-9,14,19H,10-12H2,1-4H3
InChIKeyRIACNNWKBNUKOY-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline (CID 79232801) is 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline is Cc1cc(CN2CC(C)NCC2(C)C)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline?
The InChIKey is RIACNNWKBNUKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-9-15(16-7-5-6-8-17(16)20-13)11-21-10-14(2)19-12-18(21,3)4/h5-9,14,19H,10-12H2,1-4H3.
What are the key properties of 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline?
2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2,2,5-trimethylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 79232801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).