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206273-87-2 molecular structure
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tert-butyl 4-(benzylamino)piperidine-1-carboxylate

ChemBase ID: 74293
Molecular Formular: C17H26N2O2
Molecular Mass: 290.40054
Monoisotopic Mass: 290.19942808
SMILES and InChIs

SMILES:
N1(CCC(NCc2ccccc2)CC1)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC(CC1)NCc1ccccc1)OC(C)(C)C
InChI:
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-9-15(10-12-19)18-13-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3
InChIKey:
IUJZIXJMTQNFOG-UHFFFAOYSA-N

Cite this record

CBID:74293 http://www.chembase.cn/molecule-74293.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(benzylamino)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(benzylamino)piperidine-1-carboxylate
Synonyms
4-Benzylaminopiperidine, 1-BOC protected 97%
TERT-BUTYL 4-(BENZYLAMINO)PIPERIDINE-1-CARBOXYLATE
CAS Number
206273-87-2
MDL Number
MFCD04114987
PubChem SID
162039212
PubChem CID
15380687

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15380687 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.74725693  LogD (pH = 7.4) 0.11313836 
Log P 2.458546  Molar Refractivity 84.4575 cm3
Polarizability 33.282654 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
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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