1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline

C19H30N2O — CID 10063514

IUPAC1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
SMILESCCN1CCCc2c(OCCCN3CCCCC3)cccc21
InChIInChI=1S/C19H30N2O/c1-2-21-15-7-9-17-18(21)10-6-11-19(17)22-16-8-14-20-12-4-3-5-13-20/h6,10-11H,2-5,7-9,12-16H2,1H3
InChIKeyBYJGBBWQIOQRQC-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.71
Rot. Bonds6

About 1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline

1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline (PubChem CID 10063514) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
PubChem CID10063514
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
SMILESCCN1CCCc2c(OCCCN3CCCCC3)cccc21
InChIInChI=1S/C19H30N2O/c1-2-21-15-7-9-17-18(21)10-6-11-19(17)22-16-8-14-20-12-4-3-5-13-20/h6,10-11H,2-5,7-9,12-16H2,1H3
InChIKeyBYJGBBWQIOQRQC-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline (CID 10063514) is 1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline is CCN1CCCc2c(OCCCN3CCCCC3)cccc21.
What is the InChIKey of 1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The InChIKey is BYJGBBWQIOQRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-2-21-15-7-9-17-18(21)10-6-11-19(17)22-16-8-14-20-12-4-3-5-13-20/h6,10-11H,2-5,7-9,12-16H2,1H3.
What are the key properties of 1-ethyl-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
1-ethyl-5-(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-5-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 10063514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).