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473987-07-4 molecular structure
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ethyl 4-(piperidin-4-yl)butanoate hydrochloride

ChemBase ID: 805354
Molecular Formular: C11H22ClNO2
Molecular Mass: 235.75088
Monoisotopic Mass: 235.13390663
SMILES and InChIs

SMILES:
Cl.C(=O)(CCCC1CCNCC1)OCC
Canonical SMILES:
CCOC(=O)CCCC1CCNCC1.Cl
InChI:
InChI=1S/C11H21NO2.ClH/c1-2-14-11(13)5-3-4-10-6-8-12-9-7-10;/h10,12H,2-9H2,1H3;1H
InChIKey:
NMPWYBAVVLQTIN-UHFFFAOYSA-N

Cite this record

CBID:805354 http://www.chembase.cn/molecule-805354.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4-(piperidin-4-yl)butanoate hydrochloride
IUPAC Traditional name
ethyl 4-(piperidin-4-yl)butanoate hydrochloride
Synonyms
4-PIPERIDIN-4-YL-BUTYRIC ACID ETHYL ESTER HYDROCHLORIDE
CAS Number
473987-07-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O22648 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O22648 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 1.460673  Molar Refractivity 56.3701 cm3
Polarizability 22.55125 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -1.7709155  LogD (pH = 7.4) -1.3145994 

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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