1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde

C15H19NO2 — CID 79230311

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC2COc3ccccc32)C1
InChIInChI=1S/C15H19NO2/c17-10-12-4-3-7-16(8-12)9-13-11-18-15-6-2-1-5-14(13)15/h1-2,5-6,10,12-13H,3-4,7-9,11H2
InChIKeyQCUNEDBORITHLA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.07
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde (PubChem CID 79230311) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde
PubChem CID79230311
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(CC2COc3ccccc32)C1
InChIInChI=1S/C15H19NO2/c17-10-12-4-3-7-16(8-12)9-13-11-18-15-6-2-1-5-14(13)15/h1-2,5-6,10,12-13H,3-4,7-9,11H2
InChIKeyQCUNEDBORITHLA-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-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

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-amine
CID 79230283
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepane
CID 80668167
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]ethanamine
CID 79226330
3-(bromomethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771438
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepane
CID 79220372
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205
3-(2-bromoethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)piperidine
CID 104771448
(3R)-1-benzylpiperidine-3-carbaldehyde
CID 86316318
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methylpiperidine-2-carboxylic acid
CID 107072320
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 79226994
(4aS,7aS)-6-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682874

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde (CID 79230311) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde is O=CC1CCCN(CC2COc3ccccc32)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde?
The InChIKey is QCUNEDBORITHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-10-12-4-3-7-16(8-12)9-13-11-18-15-6-2-1-5-14(13)15/h1-2,5-6,10,12-13H,3-4,7-9,11H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde has a molecular weight of 245.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 79230311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).