Home Carboxys 1-benzyl-4,4-difluoropiperidine-3-carboxylic acid hydrochloride

1-benzyl-4,4-difluoropiperidine-3-carboxylic acid hydrochloride

CAS No.:
1803612-25-0
Catalog Number:
AG01BAWP
Molecular Formula:
C13H16ClF2NO2
Molecular Weight:
291.7214
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Product Description
Catalog Number:
AG01BAWP
Chemical Name:
1-benzyl-4,4-difluoropiperidine-3-carboxylic acid hydrochloride
CAS Number:
1803612-25-0
Molecular Formula:
C13H16ClF2NO2
Molecular Weight:
291.7214
MDL Number:
MFCD28714548
IUPAC Name:
1-benzyl-4,4-difluoropiperidine-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H15F2NO2.ClH/c14-13(15)6-7-16(9-11(13)12(17)18)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,17,18);1H
InChI Key:
QSTWQLABJNVIMX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(CCC1(F)F)Cc1ccccc1.Cl
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.084g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.723g/mol
Monoisotopic Mass:
291.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties