1-quinolin-4-ylpiperidine-4-carbaldehyde

C15H16N2O — CID 62663267

IUPAC1-quinolin-4-ylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C15H16N2O/c18-11-12-6-9-17(10-7-12)15-5-8-16-14-4-2-1-3-13(14)15/h1-5,8,11-12H,6-7,9-10H2
InChIKeyRZBJYIMUYAYOMT-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds2

About 1-quinolin-4-ylpiperidine-4-carbaldehyde

1-quinolin-4-ylpiperidine-4-carbaldehyde (PubChem CID 62663267) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-quinolin-4-ylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-quinolin-4-ylpiperidine-4-carbaldehyde
PubChem CID62663267
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-quinolin-4-ylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C15H16N2O/c18-11-12-6-9-17(10-7-12)15-5-8-16-14-4-2-1-3-13(14)15/h1-5,8,11-12H,6-7,9-10H2
InChIKeyRZBJYIMUYAYOMT-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-4-ylpiperidine-4-carbaldehyde?
The IUPAC name of 1-quinolin-4-ylpiperidine-4-carbaldehyde (CID 62663267) is 1-quinolin-4-ylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-quinolin-4-ylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-quinolin-4-ylpiperidine-4-carbaldehyde is O=CC1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of 1-quinolin-4-ylpiperidine-4-carbaldehyde?
The InChIKey is RZBJYIMUYAYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-11-12-6-9-17(10-7-12)15-5-8-16-14-4-2-1-3-13(14)15/h1-5,8,11-12H,6-7,9-10H2.
What are the key properties of 1-quinolin-4-ylpiperidine-4-carbaldehyde?
1-quinolin-4-ylpiperidine-4-carbaldehyde has a molecular weight of 240.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-4-ylpiperidine-4-carbaldehyde is sourced from PubChem (CID 62663267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).