Home > Compound List > Compound details
271577-10-7 molecular structure
click picture or here to close

tert-butyl 4-[2-oxo-3-(pyridin-4-yl)propyl]piperidine-1-carboxylate

ChemBase ID: 797752
Molecular Formular: C18H26N2O3
Molecular Mass: 318.41064
Monoisotopic Mass: 318.1943427
SMILES and InChIs

SMILES:
C1(CCN(CC1)C(=O)OC(C)(C)C)CC(=O)Cc1ccncc1
Canonical SMILES:
O=C(Cc1ccncc1)CC1CCN(CC1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)20-10-6-15(7-11-20)13-16(21)12-14-4-8-19-9-5-14/h4-5,8-9,15H,6-7,10-13H2,1-3H3
InChIKey:
INGVBPVHEQQZKO-UHFFFAOYSA-N

Cite this record

CBID:797752 http://www.chembase.cn/molecule-797752.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-[2-oxo-3-(pyridin-4-yl)propyl]piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-[2-oxo-3-(pyridin-4-yl)propyl]piperidine-1-carboxylate
Synonyms
1-Boc-4-(2-oxo-3-pyridin-4-yl-propyl)-piperidine
CAS Number
271577-10-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9714 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9714 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.596835  H Acceptors
H Donor LogD (pH = 5.5) 2.1845355 
LogD (pH = 7.4) 2.2966275  Log P 2.2983196 
Molar Refractivity 88.7616 cm3 Polarizability 34.616302 Å3
Polar Surface Area 59.5 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