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1260901-68-5 | 1-Piperidinecarboxylic acid, 4-(aminomethyl)-3-(trifluoromethyl)-, phenylmethyl ester
CAS No: 1260901-68-5 Catalog No: AG000RL9 MDL No:
Product Description
Catalog Number:
AG000RL9
Chemical Name:
1-Piperidinecarboxylic acid, 4-(aminomethyl)-3-(trifluoromethyl)-, phenylmethyl ester
CAS Number:
1260901-68-5
Molecular Formula:
C15H19F3N2O2
Molecular Weight:
316.3188
IUPAC Name:
benzyl 4-(aminomethyl)-3-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C15H19F3N2O2/c16-15(17,18)13-9-20(7-6-12(13)8-19)14(21)22-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2
InChI Key:
KGDLTOMAGOSJNX-UHFFFAOYSA-N
SMILES:
NCC1CCN(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:
316.14g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.324g/mol
Monoisotopic Mass:
316.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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