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1260676-72-9 | 1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-(trifluoromethyl)-, phenylmethyl ester
CAS No: 1260676-72-9 Catalog No: AG000R1I MDL No:
Product Description
Catalog Number:
AG000R1I
Chemical Name:
1-Piperidinecarboxylic acid, 4-(hydroxymethyl)-4-(trifluoromethyl)-, phenylmethyl ester
CAS Number:
1260676-72-9
Molecular Formula:
C15H18F3NO3
Molecular Weight:
317.3035
IUPAC Name:
benzyl 4-(hydroxymethyl)-4-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C15H18F3NO3/c16-15(17,18)14(11-20)6-8-19(9-7-14)13(21)22-10-12-4-2-1-3-5-12/h1-5,20H,6-11H2
InChI Key:
UEOWFCXOLSFUHD-UHFFFAOYSA-N
SMILES:
OCC1(CCN(CC1)C(=O)OCc1ccccc1)C(F)(F)F
Properties
Complexity:
373
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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