1-quinazolin-2-ylpiperidine-2-carbaldehyde

C14H15N3O — CID 114789784

IUPAC1-quinazolin-2-ylpiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ncc2ccccc2n1
InChIInChI=1S/C14H15N3O/c18-10-12-6-3-4-8-17(12)14-15-9-11-5-1-2-7-13(11)16-14/h1-2,5,7,9-10,12H,3-4,6,8H2
InChIKeyYZPLWBAVQPQWAU-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.19
Rot. Bonds2

About 1-quinazolin-2-ylpiperidine-2-carbaldehyde

1-quinazolin-2-ylpiperidine-2-carbaldehyde (PubChem CID 114789784) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-quinazolin-2-ylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-quinazolin-2-ylpiperidine-2-carbaldehyde
PubChem CID114789784
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-quinazolin-2-ylpiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1c1ncc2ccccc2n1
InChIInChI=1S/C14H15N3O/c18-10-12-6-3-4-8-17(12)14-15-9-11-5-1-2-7-13(11)16-14/h1-2,5,7,9-10,12H,3-4,6,8H2
InChIKeyYZPLWBAVQPQWAU-UHFFFAOYSA-N
XLogP2.19
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-quinazolin-2-ylpiperidine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-quinazolin-2-ylpiperidine-2-carboxylate
CID 114789710
1-pyridin-2-ylpiperidine-2-carbaldehyde
CID 62665226
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
1-(4,6-dimethoxypyrimidin-2-yl)piperidine-2-carbaldehyde
CID 113293059
2-(2-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63886612
2-(3-oxo-1-quinazolin-2-ylpiperazin-2-yl)acetic acid
CID 114788579
1-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
CID 62662720
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
4-ethyl-1-quinazolin-2-ylpiperidine-2-carboxylic acid
CID 114788663
N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine
CID 114789523
2-(1-quinazolin-2-ylpiperidin-4-yl)ethanamine
CID 114789468
(6-methyl-1-quinazolin-2-ylpiperidin-3-yl)methanamine
CID 114789467

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-2-ylpiperidine-2-carbaldehyde?
The IUPAC name of 1-quinazolin-2-ylpiperidine-2-carbaldehyde (CID 114789784) is 1-quinazolin-2-ylpiperidine-2-carbaldehyde.
What is the SMILES notation for 1-quinazolin-2-ylpiperidine-2-carbaldehyde?
The canonical SMILES for 1-quinazolin-2-ylpiperidine-2-carbaldehyde is O=CC1CCCCN1c1ncc2ccccc2n1.
What is the InChIKey of 1-quinazolin-2-ylpiperidine-2-carbaldehyde?
The InChIKey is YZPLWBAVQPQWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-10-12-6-3-4-8-17(12)14-15-9-11-5-1-2-7-13(11)16-14/h1-2,5,7,9-10,12H,3-4,6,8H2.
What are the key properties of 1-quinazolin-2-ylpiperidine-2-carbaldehyde?
1-quinazolin-2-ylpiperidine-2-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-2-ylpiperidine-2-carbaldehyde is sourced from PubChem (CID 114789784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).