3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde

C14H17NO2 — CID 90752035

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCCC(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C14H17NO2/c16-10-15-6-1-2-13(9-15)11-3-4-14-12(8-11)5-7-17-14/h3-4,8,10,13H,1-2,5-7,9H2
InChIKeyZFODSJLKBOUJPZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.96
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde

3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde (PubChem CID 90752035) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde
PubChem CID90752035
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCCC(c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C14H17NO2/c16-10-15-6-1-2-13(9-15)11-3-4-14-12(8-11)5-7-17-14/h3-4,8,10,13H,1-2,5-7,9H2
InChIKeyZFODSJLKBOUJPZ-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran
CID 104544406
(E)-1-[3-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-1-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 126853450
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-phenylazepane
CID 121146254
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
CID 104544363
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
(3S)-3-phenylpyrrolidine-1-carbaldehyde
CID 175059746
3-(3-propanoylphenyl)piperidine-1-carbaldehyde
CID 176580605
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde (CID 90752035) is 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde is O=CN1CCCC(c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde?
The InChIKey is ZFODSJLKBOUJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-10-15-6-1-2-13(9-15)11-3-4-14-12(8-11)5-7-17-14/h3-4,8,10,13H,1-2,5-7,9H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde?
3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde has a molecular weight of 231.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 90752035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).