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183207-64-9 molecular structure
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tert-butyl 3-(benzylamino)piperidine-1-carboxylate

ChemBase ID: 271791
Molecular Formular: C17H26N2O2
Molecular Mass: 290.40054
Monoisotopic Mass: 290.19942808
SMILES and InChIs

SMILES:
C(=O)(N1CC(NCc2ccccc2)CCC1)OC(C)(C)C
Canonical SMILES:
O=C(N1CCCC(C1)NCc1ccccc1)OC(C)(C)C
InChI:
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-15(13-19)18-12-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3
InChIKey:
PYOZLJFLGIAVOE-UHFFFAOYSA-N

Cite this record

CBID:271791 http://www.chembase.cn/molecule-271791.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-(benzylamino)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-(benzylamino)piperidine-1-carboxylate
Synonyms
tert-butyl 3-(benzylamino)piperidine-1-carboxylate
CAS Number
183207-64-9
MDL Number
MFCD06410626
PubChem SID
164327701
PubChem CID
24730301

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24730301 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.18880178  LogD (pH = 7.4) 1.1516683 
Log P 2.9159489  Molar Refractivity 84.2367 cm3
Polarizability 33.282654 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.892 expand Show data source
Purity
95% expand Show data source
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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