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10338-57-5 molecular structure
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4-(piperidin-1-yl)benzaldehyde

ChemBase ID: 11375
Molecular Formular: C12H15NO
Molecular Mass: 189.2536
Monoisotopic Mass: 189.11536411
SMILES and InChIs

SMILES:
N1(c2ccc(C=O)cc2)CCCCC1
Canonical SMILES:
O=Cc1ccc(cc1)N1CCCCC1
InChI:
InChI=1S/C12H15NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKey:
ILJVPSVCFVQUAD-UHFFFAOYSA-N

Cite this record

CBID:11375 http://www.chembase.cn/molecule-11375.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperidin-1-yl)benzaldehyde
IUPAC Traditional name
4-(piperidin-1-yl)benzaldehyde
Synonyms
4-Piperidinobenzenecarbaldehyde
4-piperidinobenzaldehyde
1-(4-Formylphenyl)piperidine
4-(1-Piperidinyl)benzaldehyde
4-Piperidin-1-ylbenzaldehyde 95%
4-(piperidin-1-yl)benzaldehyde
4-piperidin-1-ylbenzaldehyde
4-Piperidin-1-yl-benzaldehyde
1-(4-甲酰苯基)哌啶
4-哌啶-1-基-苯甲醛
CAS Number
10338-57-5
MDL Number
MFCD00778395
PubChem SID
160974682
24884867
PubChem CID
291354

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6289783  LogD (pH = 7.4) 2.6439638 
Log P 2.6441581  Molar Refractivity 59.2126 cm3
Polarizability 21.843779 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
45 - 47 °C expand Show data source
55 - 57°C expand Show data source
61-64 °C expand Show data source
Hydrophobicity(logP)
3.207 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36/39 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Purity
>95% expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C12H15NO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 678953 external link
Packaging
5 g in glass bottle
Application
Reactant for synthesis of:
• Anti-inflammatory agents1
• Piperidine incorporated α-aminophosphonates for antibacterial agents2
• 5-Hydroxyaurone derivatives as growth inhibitors against HUVEC and some cancer cell lines3
• NR2B selective NMDA receptor antagonists4
• Fulleropyrrolidines5
• Fluorophores for monitoring polymerization processes6

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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