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1225349-89-2 molecular structure
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tert-butyl (3S)-1-aminopiperidine-3-carboxylate

ChemBase ID: 289748
Molecular Formular: C10H20N2O2
Molecular Mass: 200.278
Monoisotopic Mass: 200.15247789
SMILES and InChIs

SMILES:
O=C([C@@H]1CN(N)CCC1)OC(C)(C)C
Canonical SMILES:
NN1CCC[C@@H](C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-5-4-6-12(11)7-8/h8H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKey:
BXHWWPNRUOHACS-QMMMGPOBSA-N

Cite this record

CBID:289748 http://www.chembase.cn/molecule-289748.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (3S)-1-aminopiperidine-3-carboxylate
IUPAC Traditional name
tert-butyl (3S)-1-aminopiperidine-3-carboxylate
Synonyms
(S)-tert-Butyl 1-aminopiperidine-3-carboxylate
CAS Number
1225349-89-2
PubChem SID
180675279
PubChem CID
29939707

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD225592 Please log in.
Data Source Data ID
PubChem 29939707 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.08145489  LogD (pH = 7.4) 0.54266834 
Log P 0.56085163  Molar Refractivity 55.9801 cm3
Polarizability 22.041615 Å3 Polar Surface Area 55.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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