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885274-85-1 molecular structure
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prop-2-en-1-yl N-(piperidin-3-yl)carbamate

ChemBase ID: 812030
Molecular Formular: C9H16N2O2
Molecular Mass: 184.23554
Monoisotopic Mass: 184.12117776
SMILES and InChIs

SMILES:
N(C(=O)OCC=C)C1CCCNC1
Canonical SMILES:
C=CCOC(=O)NC1CCCNC1
InChI:
InChI=1S/C9H16N2O2/c1-2-6-13-9(12)11-8-4-3-5-10-7-8/h2,8,10H,1,3-7H2,(H,11,12)
InChIKey:
MRFWWCSKVVTGTD-UHFFFAOYSA-N

Cite this record

CBID:812030 http://www.chembase.cn/molecule-812030.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
prop-2-en-1-yl N-(piperidin-3-yl)carbamate
IUPAC Traditional name
prop-2-en-1-yl N-(piperidin-3-yl)carbamate
Synonyms
PIPERIDIN-3-YL-CARBAMIC ACID ALLYL ESTER
CAS Number
885274-85-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31723 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31723 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.858847  H Acceptors
H Donor LogD (pH = 5.5) -2.530151 
LogD (pH = 7.4) -1.4475439  Log P 0.6450898 
Molar Refractivity 50.0845 cm3 Polarizability 19.772251 Å3
Polar Surface Area 50.36 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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