3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline

C17H23N3 — CID 116985177

IUPAC3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline
SMILESCC(C)(CN1CCNCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H23N3/c1-17(2,13-20-9-7-18-8-10-20)15-11-14-5-3-4-6-16(14)19-12-15/h3-6,11-12,18H,7-10,13H2,1-2H3
InChIKeyURSBZGYQMXLOCM-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.42
Rot. Bonds3

About 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline

3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline (PubChem CID 116985177) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline.

Molecular Properties

Compound Name3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline
PubChem CID116985177
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline
SMILESCC(C)(CN1CCNCC1)c1cnc2ccccc2c1
InChIInChI=1S/C17H23N3/c1-17(2,13-20-9-7-18-8-10-20)15-11-14-5-3-4-6-16(14)19-12-15/h3-6,11-12,18H,7-10,13H2,1-2H3
InChIKeyURSBZGYQMXLOCM-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-ethylsulfanyl-2-methylbutan-2-yl)quinoline
CID 167157255
4-methyl-4-quinolin-3-ylpentan-2-amine
CID 64718063
3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine
CID 81023267
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
3-(1-fluoro-1-piperidin-3-ylethyl)quinoline
CID 112564864
3-(2-methyl-1-piperazin-1-ylpropan-2-yl)imidazo[1,5-a]pyridine
CID 116993129
1-methylpiperazine;quinoline-3-carbonitrile
CID 162042146
6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline
CID 131975391
2-(1,4-diazepan-1-yl)-N-quinolin-3-ylacetamide
CID 62838988
1-(4-fluorophenyl)-2-quinolin-3-ylpropan-2-amine
CID 114833902
1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
CID 11256286
2-methoxy-4-(2-methyl-1-piperazin-1-ylpropan-2-yl)phenol
CID 116987599

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline?
The IUPAC name of 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline (CID 116985177) is 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline.
What is the SMILES notation for 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline?
The canonical SMILES for 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline is CC(C)(CN1CCNCC1)c1cnc2ccccc2c1.
What is the InChIKey of 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline?
The InChIKey is URSBZGYQMXLOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,13-20-9-7-18-8-10-20)15-11-14-5-3-4-6-16(14)19-12-15/h3-6,11-12,18H,7-10,13H2,1-2H3.
What are the key properties of 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline?
3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline has a molecular weight of 269.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline is sourced from PubChem (CID 116985177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).