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Home > Fluorides > 1329672-93-6
1329672-93-6 | tert-Butyl N-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ylcarbamate
CAS No: 1329672-93-6 Catalog No: AG01F4L1 MDL No:
Product Description
Catalog Number:
AG01F4L1
Chemical Name:
tert-Butyl N-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ylcarbamate
CAS Number:
1329672-93-6
Molecular Formula:
C15H21F3N4O2
Molecular Weight:
346.3480
IUPAC Name:
tert-butyl N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C15H21F3N4O2/c1-14(2,3)24-13(23)21-10-4-6-22(7-5-10)12-8-11(15(16,17)18)19-9-20-12/h8-10H,4-7H2,1-3H3,(H,21,23)
InChI Key:
TWEHSCPPXSIMHD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)c1ncnc(c1)C(F)(F)F
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.162g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.354g/mol
Monoisotopic Mass:
346.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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