Home Nitriles 1-benzyl-3-hydroxypiperidine-3-carbonitrile hydrochloride

1-benzyl-3-hydroxypiperidine-3-carbonitrile hydrochloride

CAS No.:
1258650-51-9
Catalog Number:
AG01AAIT
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AAIT
Chemical Name:
1-benzyl-3-hydroxypiperidine-3-carbonitrile hydrochloride
CAS Number:
1258650-51-9
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
MDL Number:
MFCD17167198
IUPAC Name:
1-benzyl-3-hydroxypiperidine-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C13H16N2O.ClH/c14-10-13(16)7-4-8-15(11-13)9-12-5-2-1-3-6-12;/h1-3,5-6,16H,4,7-9,11H2;1H
InChI Key:
QKHFEQKASUETHS-UHFFFAOYSA-N
SMILES:
N#CC1(O)CCCN(C1)Cc1ccccc1.Cl
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties