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309962-67-2 molecular structure
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tert-butyl N-methyl-N-[(3R)-piperidin-3-yl]carbamate

ChemBase ID: 70878
Molecular Formular: C11H22N2O2
Molecular Mass: 214.30458
Monoisotopic Mass: 214.16812795
SMILES and InChIs

SMILES:
C(=O)(N([C@H]1CNCCC1)C)OC(C)(C)C
Canonical SMILES:
O=C(N([C@@H]1CCCNC1)C)OC(C)(C)C
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-6-5-7-12-8-9/h9,12H,5-8H2,1-4H3/t9-/m1/s1
InChIKey:
RTXNDTNDOHQMTI-SECBINFHSA-N

Cite this record

CBID:70878 http://www.chembase.cn/molecule-70878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-methyl-N-[(3R)-piperidin-3-yl]carbamate
IUPAC Traditional name
tert-butyl N-methyl-N-[(3R)-piperidin-3-yl]carbamate
Synonyms
(R)-3-N-Boc-3-(Methylamino)piperidine
(R)-tert-Butyl methyl(piperidin-3-yl)carbamate
CAS Number
309962-67-2
MDL Number
MFCD09878596
PubChem SID
162036586
PubChem CID
28875356

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 28875356 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9837354  LogD (pH = 7.4) -0.9009672 
Log P 1.1914757  Molar Refractivity 59.6241 cm3
Polarizability 23.692034 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
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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