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1159825-32-7 molecular structure
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piperidine-4-carbaldehyde hydrochloride

ChemBase ID: 805357
Molecular Formular: C6H12ClNO
Molecular Mass: 149.61858
Monoisotopic Mass: 149.06074169
SMILES and InChIs

SMILES:
Cl.C1(CCNCC1)C=O
Canonical SMILES:
O=CC1CCNCC1.Cl
InChI:
InChI=1S/C6H11NO.ClH/c8-5-6-1-3-7-4-2-6;/h5-7H,1-4H2;1H
InChIKey:
BUDPPMIPWUJUJX-UHFFFAOYSA-N

Cite this record

CBID:805357 http://www.chembase.cn/molecule-805357.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
piperidine-4-carbaldehyde hydrochloride
IUPAC Traditional name
piperidine-4-carbaldehyde hydrochloride
Synonyms
4-FORMYLPIPERIDINE HCL
CAS Number
1159825-32-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22651 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22651 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.23251  H Acceptors
H Donor LogD (pH = 5.5) -3.500529 
LogD (pH = 7.4) -2.84719  Log P -0.2783841 
Molar Refractivity 32.1499 cm3 Polarizability 12.650581 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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