Home > Compound List > Compound details
478646-32-1 molecular structure
click picture or here to close

benzyl N-[(3R)-piperidin-3-yl]carbamate

ChemBase ID: 800944
Molecular Formular: C13H18N2O2
Molecular Mass: 234.29422
Monoisotopic Mass: 234.13682783
SMILES and InChIs

SMILES:
N(C(=O)OCc1ccccc1)[C@@H]1CCCNC1
Canonical SMILES:
O=C(N[C@@H]1CCCNC1)OCc1ccccc1
InChI:
InChI=1S/C13H18N2O2/c16-13(15-12-7-4-8-14-9-12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)/t12-/m1/s1
InChIKey:
GEHZGURGZRSODK-GFCCVEGCSA-N

Cite this record

CBID:800944 http://www.chembase.cn/molecule-800944.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl N-[(3R)-piperidin-3-yl]carbamate
IUPAC Traditional name
benzyl N-[(3R)-piperidin-3-yl]carbamate
Synonyms
(R)-Piperidin-3-yl-carbamic acid benzyl ester
CAS Number
478646-32-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17100 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17100 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.742717  H Acceptors
H Donor LogD (pH = 5.5) -1.5369276 
LogD (pH = 7.4) -0.4543205  Log P 1.638313 
Molar Refractivity 65.5344 cm3 Polarizability 25.9112 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle