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1260893-96-6 | 1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-3-(trifluoromethyl)-, phenylmethyl ester
CAS No: 1260893-96-6 Catalog No: AG000RJG MDL No:
Product Description
Catalog Number:
AG000RJG
Chemical Name:
1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-3-(trifluoromethyl)-, phenylmethyl ester
CAS Number:
1260893-96-6
Molecular Formula:
C15H18F3NO3
Molecular Weight:
317.3035
IUPAC Name:
benzyl 4-(hydroxymethyl)-3-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C15H18F3NO3/c16-15(17,18)13-8-19(7-6-12(13)9-20)14(21)22-10-11-4-2-1-3-5-11/h1-5,12-13,20H,6-10H2
InChI Key:
HDIAFCPGZDGNRK-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1C(F)(F)F)C(=O)OCc1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.308g/mol
Monoisotopic Mass:
317.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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