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876461-55-1 molecular structure
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benzyl (3S)-3-aminopiperidine-1-carboxylate

ChemBase ID: 795754
Molecular Formular: C13H18N2O2
Molecular Mass: 234.29422
Monoisotopic Mass: 234.13682783
SMILES and InChIs

SMILES:
C1CCN(C[C@H]1N)C(=O)OCc1ccccc1
Canonical SMILES:
N[C@H]1CCCN(C1)C(=O)OCc1ccccc1
InChI:
InChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m0/s1
InChIKey:
PBFBPDLWODIXHK-LBPRGKRZSA-N

Cite this record

CBID:795754 http://www.chembase.cn/molecule-795754.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl (3S)-3-aminopiperidine-1-carboxylate
IUPAC Traditional name
benzyl (3S)-3-aminopiperidine-1-carboxylate
Synonyms
(S)-Benzyl 3-aMinopiperidine-1-carboxylate
CAS Number
876461-55-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O418 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5497313  LogD (pH = 7.4) -0.5463482 
Log P 1.4294088  Molar Refractivity 65.6565 cm3
Polarizability 25.9112 Å3 Polar Surface Area 55.56 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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