Home Nitriles 4-(4-Hydroxypiperidin-4-yl)benzonitrile hydrochloride

4-(4-Hydroxypiperidin-4-yl)benzonitrile hydrochloride

CAS No.:
1841081-29-5
Catalog Number:
AG00I1G5
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
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Product Description
Catalog Number:
AG00I1G5
Chemical Name:
4-(4-Hydroxypiperidin-4-yl)benzonitrile hydrochloride
CAS Number:
1841081-29-5
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD28986178
IUPAC Name:
4-(4-hydroxypiperidin-4-yl)benzonitrile;hydrochloride
InChI:
InChI=1S/C12H14N2O.ClH/c13-9-10-1-3-11(4-2-10)12(15)5-7-14-8-6-12;/h1-4,14-15H,5-8H2;1H
InChI Key:
YHMJDDTUZFYLSC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1(O)CCNCC1.Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
238.715g/mol
Monoisotopic Mass:
238.087g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties