1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline

C17H27N3 — CID 28808284

IUPAC1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CCCCN1CCNCC1
InChIInChI=1S/C17H27N3/c1-2-8-17-16(6-1)7-5-13-20(17)12-4-3-11-19-14-9-18-10-15-19/h1-2,6,8,18H,3-5,7,9-15H2
InChIKeyPWGURTLKLGDFDX-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.12
Rot. Bonds5

About 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline

1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline (PubChem CID 28808284) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
PubChem CID28808284
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2CCCCN1CCNCC1
InChIInChI=1S/C17H27N3/c1-2-8-17-16(6-1)7-5-13-20(17)12-4-3-11-19-14-9-18-10-15-19/h1-2,6,8,18H,3-5,7,9-15H2
InChIKeyPWGURTLKLGDFDX-UHFFFAOYSA-N
XLogP2.12
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-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

1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595
1-(2-piperazin-1-ylethyl)-2,3-dihydroindole
CID 28704454
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
6-(3,4-dihydro-2H-quinolin-1-yl)hexan-1-amine
CID 13472128
5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
8-(3,4-dihydro-2H-quinolin-1-yl)octan-1-amine
CID 13472131
1-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole
CID 82081939
1-(3-isocyanopropyl)-3,4-dihydro-2H-quinoline
CID 118704588
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline (CID 28808284) is 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2CCCCN1CCNCC1.
What is the InChIKey of 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline?
The InChIKey is PWGURTLKLGDFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-8-17-16(6-1)7-5-13-20(17)12-4-3-11-19-14-9-18-10-15-19/h1-2,6,8,18H,3-5,7,9-15H2.
What are the key properties of 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline?
1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline has a molecular weight of 273.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperazin-1-ylbutyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 28808284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).