1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline

C19H30N2O — CID 10090854

IUPAC1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
SMILESCCN1CCCc2cc(OCCCN3CCCCC3)ccc21
InChIInChI=1S/C19H30N2O/c1-2-21-14-6-8-17-16-18(9-10-19(17)21)22-15-7-13-20-11-4-3-5-12-20/h9-10,16H,2-8,11-15H2,1H3
InChIKeyCULFEDKKBQEIGF-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.71
Rot. Bonds6

About 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline

1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline (PubChem CID 10090854) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
PubChem CID10090854
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
SMILESCCN1CCCc2cc(OCCCN3CCCCC3)ccc21
InChIInChI=1S/C19H30N2O/c1-2-21-14-6-8-17-16-18(9-10-19(17)21)22-15-7-13-20-11-4-3-5-12-20/h9-10,16H,2-8,11-15H2,1H3
InChIKeyCULFEDKKBQEIGF-UHFFFAOYSA-N
XLogP3.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethoxyquin
CID 3293
6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinolin-6-ol
CID 10182934
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
Dabelotine
CID 177949
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-piperazine
CID 9863333
6-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9974962
1-Ethyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9995111
1-(Cyclohexylmethyl)-5-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9999254

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline (CID 10090854) is 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline is CCN1CCCc2cc(OCCCN3CCCCC3)ccc21.
What is the InChIKey of 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The InChIKey is CULFEDKKBQEIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-2-21-14-6-8-17-16-18(9-10-19(17)21)22-15-7-13-20-11-4-3-5-12-20/h9-10,16H,2-8,11-15H2,1H3.
What are the key properties of 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline has a molecular weight of 302.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 10090854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).