1044769-69-8
4-((3-Hydroxypiperidin-1-yl)methyl)benzonitrile
Name4-((3-Hydroxypiperidin-1-yl)methyl)benzonitrile
1Identification
【Name】
4-((3-Hydroxypiperidin-1-yl)methyl)benzonitrile
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H16N2O
【MolWeight】
216.2789
【Inchi】
InChI=1S/C13H16N2O/c14-8-11-3-5-12(6-4-11)9-15-7-1-2-13(16)10-15/h3-6,13,16H,1-2,7,9-10H2
【InChIKey】
InChIKey=UFYYUGVJLHTOFJ-UHFFFAOYSA-N
【SMILES】
OC1CN(CCC1)CC1=CC=C(C#N)C=C1
【MOL File】
4-((3-Hydroxypiperid….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
4-((3-Hydroxypiperidin-1-yl)methyl)benzonitrile.cml