3-(Piperidin-1-ylmethyl)benzaldehyde
Basic information
- CAS
471930-01-5- Standard SMILES
O=Cc1cccc(CN2CCCCC2)c1- InChIKey
UJDTVJKIOWAUNQ-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Names & identifiers
- Preferred name
- 3-(Piperidin-1-ylmethyl)benzaldehyde
- IUPAC
- 3-(piperidin-1-ylmethyl)benzaldehyde
- English name
- 3-(Piperidinomethyl)benzaldehyde
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
3-(piperidin-1-ylmethyl)benzaldehyde471930-01-53-(piperidinomethyl)benzaldehyde3-[(piperidin-1-yl)methyl]benzaldehydeMFCD077824183-(1-piperidylmethyl)benzaldehyde1-(3-Carboxaldehydebenzyl)piperidine3-(piperidylmethyl)benzaldehydeSCHEMBL7656309SCHEMBL31528239DTXSID90428214SBB093171
Show more names
3-(1-piperidinylmethyl)benzaldehyde3-PIPERIDIN-1-YLMETHYL-BENZALDEHYDEBenzaldehyde, 3-(1-piperidinylmethyl)-
AKOS015968450MS-22338DB-021742CS-0359633
Database identifiers
- CAS
471930-01-5- PubChem CID
- 7164643
- DTXSID
DTXSID90428214- Nikkaji
- J3.449.076G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 310.7 · 310.7±25.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 8.7 · 8.70±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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