Home > Compound List > Compound details
435275-85-7 molecular structure
click picture or here to close

1-benzyl 3-ethyl (3R)-piperidine-1,3-dicarboxylate

ChemBase ID: 806813
Molecular Formular: C16H21NO4
Molecular Mass: 291.34224
Monoisotopic Mass: 291.14705816
SMILES and InChIs

SMILES:
C1CCN(C[C@@H]1C(=O)OCC)C(=O)OCc1ccccc1
Canonical SMILES:
CCOC(=O)[C@@H]1CCCN(C1)C(=O)OCc1ccccc1
InChI:
InChI=1S/C16H21NO4/c1-2-20-15(18)14-9-6-10-17(11-14)16(19)21-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3/t14-/m1/s1
InChIKey:
NJRONXOELMBCSE-CQSZACIVSA-N

Cite this record

CBID:806813 http://www.chembase.cn/molecule-806813.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl 3-ethyl (3R)-piperidine-1,3-dicarboxylate
IUPAC Traditional name
1-benzyl 3-ethyl (3R)-piperidine-1,3-dicarboxylate
Synonyms
(R)-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-BENZYL ESTER 3-ETHYL ESTER
CAS Number
435275-85-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24721 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24721 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4925482  LogD (pH = 7.4) 2.4925482 
Log P 2.4925482  Molar Refractivity 78.2411 cm3
Polarizability 30.693327 Å3 Polar Surface Area 55.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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