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301180-05-2 molecular structure
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tert-butyl piperidine-3-carboxylate

ChemBase ID: 29862
Molecular Formular: C10H19NO2
Molecular Mass: 185.26336
Monoisotopic Mass: 185.14157885
SMILES and InChIs

SMILES:
C1CNCC(C1)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(C1CCCNC1)OC(C)(C)C
InChI:
InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3
InChIKey:
RHNAXBBEIVHVQT-UHFFFAOYSA-N

Cite this record

CBID:29862 http://www.chembase.cn/molecule-29862.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl piperidine-3-carboxylate
IUPAC Traditional name
tert-butyl piperidine-3-carboxylate
Synonyms
tert-Butyl piperidine-3-carboxylate
CAS Number
301180-05-2
MDL Number
MFCD11041017
PubChem SID
160993169
PubChem CID
4227171

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
032461 external link Add to cart Please log in.
Data Source Data ID
PubChem 4227171 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8894596  LogD (pH = 7.4) -0.6059721 
Log P 1.2359934  Molar Refractivity 51.496 cm3
Polarizability 20.710838 Å3 Polar Surface Area 38.33 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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