Home > Compound List > Compound details
 molecular structure
click picture or here to close

1-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxylic acid

ChemBase ID: 340209
Molecular Formular: C15H23NO3
Molecular Mass: 265.34802
Monoisotopic Mass: 265.1677936
SMILES and InChIs

SMILES:
C1(C(=O)O)(CN(Cc2oc(cc2)C)CCC1)CCC
Canonical SMILES:
CCCC1(CCCN(C1)Cc1ccc(o1)C)C(=O)O
InChI:
InChI=1S/C15H23NO3/c1-3-7-15(14(17)18)8-4-9-16(11-15)10-13-6-5-12(2)19-13/h5-6H,3-4,7-11H2,1-2H3,(H,17,18)
InChIKey:
FBCDZIBDQMHGBY-UHFFFAOYSA-N

Cite this record

CBID:340209 http://www.chembase.cn/molecule-340209.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxylic acid
IUPAC Traditional name
1-[(5-methylfuran-2-yl)methyl]-3-propylpiperidine-3-carboxylic acid
Synonyms
1-[(5-methyl-2-furyl)methyl]-3-propylpiperidine-3-carboxylic acid

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13840543 external link Add to cart
Data Source Data ID Price
ChemBridge
13840543 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 3.957363  H Acceptors
H Donor LogD (pH = 5.5) 0.11032312 
LogD (pH = 7.4) 0.117392205  Log P 0.119009614 
Molar Refractivity 74.0722 cm3 Polarizability 28.686277 Å3
Polar Surface Area 53.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.07  LOG S -5.83 
Polar Surface Area 53.68 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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