4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline

C18H25N3 — CID 79232784

IUPAC4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
SMILESCCC(C)C1CN(Cc2ccnc3ccccc23)CCN1
InChIInChI=1S/C18H25N3/c1-3-14(2)18-13-21(11-10-20-18)12-15-8-9-19-17-7-5-4-6-16(15)17/h4-9,14,18,20H,3,10-13H2,1-2H3
InChIKeyYJJGRHJODZRJQS-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.05
Rot. Bonds4

About 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline

4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline (PubChem CID 79232784) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
PubChem CID79232784
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
SMILESCCC(C)C1CN(Cc2ccnc3ccccc23)CCN1
InChIInChI=1S/C18H25N3/c1-3-14(2)18-13-21(11-10-20-18)12-15-8-9-19-17-7-5-4-6-16(15)17/h4-9,14,18,20H,3,10-13H2,1-2H3
InChIKeyYJJGRHJODZRJQS-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline 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 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline (CID 79232784) is 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline is CCC(C)C1CN(Cc2ccnc3ccccc23)CCN1.
What is the InChIKey of 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline?
The InChIKey is YJJGRHJODZRJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-14(2)18-13-21(11-10-20-18)12-15-8-9-19-17-7-5-4-6-16(15)17/h4-9,14,18,20H,3,10-13H2,1-2H3.
What are the key properties of 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline?
4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 79232784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).