1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde

C16H18N2O — CID 62654466

IUPAC1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C16H18N2O/c19-12-13-6-9-18(10-7-13)11-15-4-1-3-14-5-2-8-17-16(14)15/h1-5,8,12-13H,6-7,9-11H2
InChIKeyLAEQSWLGJLFRTR-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.65
Rot. Bonds3

About 1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde

1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde (PubChem CID 62654466) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
PubChem CID62654466
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C16H18N2O/c19-12-13-6-9-18(10-7-13)11-15-4-1-3-14-5-2-8-17-16(14)15/h1-5,8,12-13H,6-7,9-11H2
InChIKeyLAEQSWLGJLFRTR-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
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-8-ylmethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde (CID 62654466) is 1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde is O=CC1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of 1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde?
The InChIKey is LAEQSWLGJLFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-12-13-6-9-18(10-7-13)11-15-4-1-3-14-5-2-8-17-16(14)15/h1-5,8,12-13H,6-7,9-11H2.
What are the key properties of 1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde?
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde has a molecular weight of 254.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62654466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).