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

1-(2,3-dihydro-1H-inden-2-yl)-4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidine

ChemBase ID: 420179
Molecular Formular: C25H30N2O2
Molecular Mass: 390.5179
Monoisotopic Mass: 390.23072821
SMILES and InChIs

SMILES:
C(=O)(c1c(OC2CCN(C3Cc4c(C3)cccc4)CC2)cccc1)N1CCCC1
Canonical SMILES:
O=C(c1ccccc1OC1CCN(CC1)C1Cc2c(C1)cccc2)N1CCCC1
InChI:
InChI=1S/C25H30N2O2/c28-25(27-13-5-6-14-27)23-9-3-4-10-24(23)29-22-11-15-26(16-12-22)21-17-19-7-1-2-8-20(19)18-21/h1-4,7-10,21-22H,5-6,11-18H2
InChIKey:
MJTGJDGJAXHBGV-UHFFFAOYSA-N

Cite this record

CBID:420179 http://www.chembase.cn/molecule-420179.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,3-dihydro-1H-inden-2-yl)-4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidine
IUPAC Traditional name
1-(2,3-dihydro-1H-inden-2-yl)-4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidine
Synonyms
1-(2,3-dihydro-1H-inden-2-yl)-4-[2-(1-pyrrolidinylcarbonyl)phenoxy]piperidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 25936312 external link Add to cart
Data Source Data ID Price
ChemBridge
25936312 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.41708627  LogD (pH = 7.4) 1.9682283 
Log P 3.6589606  Molar Refractivity 116.7325 cm3
Polarizability 44.723606 Å3 Polar Surface Area 32.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.24  LOG S -5.09 
Polar Surface Area 32.78 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