Home Nitriles 4-(1-BOC-Piperidin-4-yloxy)benzonitrile

4-(1-BOC-Piperidin-4-yloxy)benzonitrile

CAS No.:
333954-86-2
Catalog Number:
AG00CKR3
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$107
- +
5g
98%
In Stock USA
United States
$332
- +
Product Description
Catalog Number:
AG00CKR3
Chemical Name:
4-(1-BOC-Piperidin-4-yloxy)benzonitrile
CAS Number:
333954-86-2
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
MDL Number:
MFCD14155813
IUPAC Name:
tert-butyl 4-(4-cyanophenoxy)piperidine-1-carboxylate
InChI:
InChI=1S/C17H22N2O3/c1-17(2,3)22-16(20)19-10-8-15(9-11-19)21-14-6-4-13(12-18)5-7-14/h4-7,15H,8-11H2,1-3H3
InChI Key:
ODHVBWQNZTWKCV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties