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216854-23-8 molecular structure
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tert-butyl N-[(3S)-piperidin-3-yl]carbamate

ChemBase ID: 800256
Molecular Formular: C10H20N2O2
Molecular Mass: 200.278
Monoisotopic Mass: 200.15247789
SMILES and InChIs

SMILES:
N(C(=O)OC(C)(C)C)[C@H]1CCCNC1
Canonical SMILES:
O=C(OC(C)(C)C)N[C@H]1CCCNC1
InChI:
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKey:
WUOQXNWMYLFAHT-QMMMGPOBSA-N

Cite this record

CBID:800256 http://www.chembase.cn/molecule-800256.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
IUPAC Traditional name
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
Synonyms
(S)-Piperidin-3-yl-carbamic acid tert-butyl ester
CAS Number
216854-23-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O15649 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O15649 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.962428  H Acceptors
H Donor LogD (pH = 5.5) -2.207441 
LogD (pH = 7.4) -1.1248345  Log P 0.96779966 
Molar Refractivity 54.7274 cm3 Polarizability 21.854008 Å3
Polar Surface Area 50.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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