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73874-95-0 molecular structure
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tert-butyl 1-aminopiperidine-4-carboxylate

ChemBase ID: 816204
Molecular Formular: C10H20N2O2
Molecular Mass: 200.278
Monoisotopic Mass: 200.15247789
SMILES and InChIs

SMILES:
C1(CCN(CC1)N)C(=O)OC(C)(C)C
Canonical SMILES:
NN1CCC(CC1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)8-4-6-12(11)7-5-8/h8H,4-7,11H2,1-3H3
InChIKey:
BTYHAYZTYOWFQL-UHFFFAOYSA-N

Cite this record

CBID:816204 http://www.chembase.cn/molecule-816204.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 1-aminopiperidine-4-carboxylate
IUPAC Traditional name
tert-butyl 1-aminopiperidine-4-carboxylate
Synonyms
4-BOC-AMINOPIPERIDINE
CAS Number
73874-95-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O40128 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O40128 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.2425753  LogD (pH = 7.4) 0.38648137 
Log P 0.40494415  Molar Refractivity 56.1341 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
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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