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276248-50-1 molecular structure
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methyl (3S)-piperidine-3-carboxylate

ChemBase ID: 265129
Molecular Formular: C7H13NO2
Molecular Mass: 143.18362
Monoisotopic Mass: 143.09462866
SMILES and InChIs

SMILES:
C(=O)([C@@H]1CNCCC1)OC
Canonical SMILES:
COC(=O)[C@H]1CCCNC1
InChI:
InChI=1S/C7H13NO2/c1-10-7(9)6-3-2-4-8-5-6/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKey:
BCDBHIAXYFPJCT-LURJTMIESA-N

Cite this record

CBID:265129 http://www.chembase.cn/molecule-265129.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (3S)-piperidine-3-carboxylate
IUPAC Traditional name
methyl (3S)-piperidine-3-carboxylate
Synonyms
methyl (3S)-piperidine-3-carboxylate
(S)-Methyl piperidine-3-carboxylate
CAS Number
276248-50-1
MDL Number
MFCD09752680
PubChem SID
164321039
PubChem CID
18727136

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18727136 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9434247  LogD (pH = 7.4) -1.6599541 
Log P 0.18203369  Molar Refractivity 37.6904 cm3
Polarizability 15.197755 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.535 expand Show data source
Purity
95% expand Show data source
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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