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387827-19-2 molecular structure
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tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate

ChemBase ID: 800417
Molecular Formular: C16H24N2O2
Molecular Mass: 276.37396
Monoisotopic Mass: 276.18377802
SMILES and InChIs

SMILES:
C1(CCN(CC1)C(=O)OC(C)(C)C)c1cc(ccc1)N
Canonical SMILES:
Nc1cccc(c1)C1CCN(CC1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10,17H2,1-3H3
InChIKey:
INZSWUJHGMIAJM-UHFFFAOYSA-N

Cite this record

CBID:800417 http://www.chembase.cn/molecule-800417.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate
Synonyms
tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate
CAS Number
387827-19-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O15946 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O15946 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) 2.5102232  LogD (pH = 7.4) 2.532289 
Log P 2.5325778  Molar Refractivity 81.1745 cm3
Polarizability 31.0531 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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