5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline

C17H27N3 — CID 81215390

IUPAC5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)N1CCN(c2cccc3c2CCCN3)CC1
InChIInChI=1S/C17H27N3/c1-3-14(2)19-10-12-20(13-11-19)17-8-4-7-16-15(17)6-5-9-18-16/h4,7-8,14,18H,3,5-6,9-13H2,1-2H3
InChIKeyZMZIOSYFIDJIPR-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.97
Rot. Bonds3

About 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline

5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81215390) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81215390
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCC(C)N1CCN(c2cccc3c2CCCN3)CC1
InChIInChI=1S/C17H27N3/c1-3-14(2)19-10-12-20(13-11-19)17-8-4-7-16-15(17)6-5-9-18-16/h4,7-8,14,18H,3,5-6,9-13H2,1-2H3
InChIKeyZMZIOSYFIDJIPR-UHFFFAOYSA-N
XLogP2.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline 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

5-(4-propan-2-ylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215404
5-(4,4-dimethylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214740
2,6-dimethyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)morpholine
CID 81215266
5-(2-ethylimidazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224764
5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 102965800
3-(4-butan-2-ylpiperazin-1-yl)pyridin-2-amine
CID 104540306
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418
2-(4-butan-2-ylpiperazin-1-yl)benzaldehyde
CID 62772678
3-(1,2,3,4-tetrahydroquinolin-5-yl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 81214470
methanamine;2-methylbutane;5-methylsulfanyl-1,2,3,4-tetrahydroquinoline
CID 142484435
5-(3,5-diethylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 82693965
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073

Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81215390) is 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline is CCC(C)N1CCN(c2cccc3c2CCCN3)CC1.
What is the InChIKey of 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZMZIOSYFIDJIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-14(2)19-10-12-20(13-11-19)17-8-4-7-16-15(17)6-5-9-18-16/h4,7-8,14,18H,3,5-6,9-13H2,1-2H3.
What are the key properties of 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline?
5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81215390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).