5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline

C17H26N2O — CID 10358078

IUPAC5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(OCCCN3CCCCC3)c1)CCCN2
InChIInChI=1S/C17H26N2O/c1-2-11-19(12-3-1)13-6-14-20-17-9-4-8-16-15(17)7-5-10-18-16/h4,8-9,18H,1-3,5-7,10-14H2
InChIKeyNNYWUROLSZBCQU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.30
Rot. Bonds5

About 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline

5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 10358078) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID10358078
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(OCCCN3CCCCC3)c1)CCCN2
InChIInChI=1S/C17H26N2O/c1-2-11-19(12-3-1)13-6-14-20-17-9-4-8-16-15(17)7-5-10-18-16/h4,8-9,18H,1-3,5-7,10-14H2
InChIKeyNNYWUROLSZBCQU-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-piperidin-1-ylpropoxy)-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-(3-imidazol-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 103045048
2-(1,2,3,4-tetrahydroquinolin-5-yloxy)ethanamine
CID 84664284
5-(3-methylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 103045046
5-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 103180421
5-[(1-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075157
5-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075173
4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105473
5-[(1,4-dimethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075159
5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454398
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
5-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075184
5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075103

Frequently Asked Questions

What is the IUPAC name of 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline (CID 10358078) is 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(OCCCN3CCCCC3)c1)CCCN2.
What is the InChIKey of 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is NNYWUROLSZBCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-11-19(12-3-1)13-6-14-20-17-9-4-8-16-15(17)7-5-10-18-16/h4,8-9,18H,1-3,5-7,10-14H2.
What are the key properties of 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline?
5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 274.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 10358078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).