750557-49-4
1-[(3-CHLOROPHENYL)METHYL]-2-PIPERIDINECARBOXYLIC ACID
Name1-[(3-CHLOROPHENYL)METHYL]-2-PIPERIDINECARBOXYLIC ACID
1Identification
【Name】
1-[(3-CHLOROPHENYL)METHYL]-2-PIPERIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD05174519
【English Synonyms】
【Formula】
C13 H16 Cl N O2
【MolWeight】
253.727
【Inchi】
InChI=1S/C13H16ClNO2/c14-11-5-3-4-10(8-11)9-15-7-2-1-6-12(15)13(16)17/h3-5,8,12H,1-2,6-7,9H2,(H,16,17)
【InChIKey】
InChIKey=APHRDQGKMBNFQL-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)CN2CCCCC2C(=O)O
【MOL File】
1-[(3-CHLOROPHENYL)M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[(3-CHLOROPHENYL)METHYL]-2-PIPERIDINECARBOXYLIC ACID.cml