Home Nitriles 4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile

4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile

CAS No.:
162997-46-8
Catalog Number:
AG001TL0
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$100
- +
5g
96%
In Stock USA
United States
$300
- +
10g
96%
In Stock USA
United States
$475
- +
25g
96%
In Stock USA
United States
$950
- +
Product Description
Catalog Number:
AG001TL0
Chemical Name:
4-(4-(Hydroxymethyl)piperidin-1-yl)benzonitrile
CAS Number:
162997-46-8
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD08689746
IUPAC Name:
4-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile
InChI:
InChI=1S/C13H16N2O/c14-9-11-1-3-13(4-2-11)15-7-5-12(10-16)6-8-15/h1-4,12,16H,5-8,10H2
InChI Key:
FVDXAMHRFMBLPT-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)c1ccc(cc1)C#N
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties