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1198286-46-2 molecular structure
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tert-butyl 4-pentanoylpiperidine-1-carboxylate

ChemBase ID: 63710
Molecular Formular: C15H27NO3
Molecular Mass: 269.37978
Monoisotopic Mass: 269.19909373
SMILES and InChIs

SMILES:
C1CC(C(=O)CCCC)CCN1C(=O)OC(C)(C)C
Canonical SMILES:
CCCCC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C15H27NO3/c1-5-6-7-13(17)12-8-10-16(11-9-12)14(18)19-15(2,3)4/h12H,5-11H2,1-4H3
InChIKey:
HYCQGTNXEHKDLQ-UHFFFAOYSA-N

Cite this record

CBID:63710 http://www.chembase.cn/molecule-63710.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-pentanoylpiperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-pentanoylpiperidine-1-carboxylate
Synonyms
tert-Butyl 4-pentanoylpiperidine-1-carboxylate
CAS Number
1198286-46-2
MDL Number
MFCD12912613
PubChem SID
162029449
PubChem CID
49760088

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
069034 external link Add to cart Please log in.
Data Source Data ID
PubChem 49760088 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.79577  H Acceptors
H Donor LogD (pH = 5.5) 3.0827239 
LogD (pH = 7.4) 3.0827239  Log P 3.0827239 
Molar Refractivity 75.4504 cm3 Polarizability 29.607502 Å3
Polar Surface Area 46.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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