2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde

C16H18N2O2 — CID 102959210

IUPAC2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde
SMILESCOC1CCCN(c2nc3ccccc3cc2C=O)C1
InChIInChI=1S/C16H18N2O2/c1-20-14-6-4-8-18(10-14)16-13(11-19)9-12-5-2-3-7-15(12)17-16/h2-3,5,7,9,11,14H,4,6,8,10H2,1H3
InChIKeyGXAXQZUQHOHSHQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.66
Rot. Bonds3

About 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde

2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde (PubChem CID 102959210) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde
PubChem CID102959210
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde
SMILESCOC1CCCN(c2nc3ccccc3cc2C=O)C1
InChIInChI=1S/C16H18N2O2/c1-20-14-6-4-8-18(10-14)16-13(11-19)9-12-5-2-3-7-15(12)17-16/h2-3,5,7,9,11,14H,4,6,8,10H2,1H3
InChIKeyGXAXQZUQHOHSHQ-UHFFFAOYSA-N
XLogP2.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)quinoline-3-carbaldehyde
CID 61441804
2-chloro-4-(3-methoxypiperidin-1-yl)quinazoline
CID 102963258
2-[2-(3-methoxypyrrolidin-1-yl)quinolin-3-yl]ethanamine
CID 103540590
N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide
CID 103533970
7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 857615
3-methoxy-1-phenylpiperidine
CID 70382121
2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
CID 75421713
2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 103534998
ethyl 1-[3-(hydroxymethyl)quinolin-2-yl]piperidine-3-carboxylate
CID 91662062
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde?
The IUPAC name of 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde (CID 102959210) is 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde.
What is the SMILES notation for 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde?
The canonical SMILES for 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde is COC1CCCN(c2nc3ccccc3cc2C=O)C1.
What is the InChIKey of 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde?
The InChIKey is GXAXQZUQHOHSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-14-6-4-8-18(10-14)16-13(11-19)9-12-5-2-3-7-15(12)17-16/h2-3,5,7,9,11,14H,4,6,8,10H2,1H3.
What are the key properties of 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde?
2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde has a molecular weight of 270.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypiperidin-1-yl)quinoline-3-carbaldehyde is sourced from PubChem (CID 102959210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).