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Home > Fluorides > 1219623-99-0
1219623-99-0 | tert-Butyl 1-[3-(trifluoromethyl)benzyl]-piperidin-4-yl carbamate
CAS No: 1219623-99-0 Catalog No: AG01F5HC MDL No:
Product Description
Catalog Number:
AG01F5HC
Chemical Name:
tert-Butyl 1-[3-(trifluoromethyl)benzyl]-piperidin-4-yl carbamate
CAS Number:
1219623-99-0
Molecular Formula:
C18H25F3N2O2
Molecular Weight:
358.3985
IUPAC Name:
tert-butyl N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C18H25F3N2O2/c1-17(2,3)25-16(24)22-15-7-9-23(10-8-15)12-13-5-4-6-14(11-13)18(19,20)21/h4-6,11,15H,7-10,12H2,1-3H3,(H,22,24)
InChI Key:
OFTADSCWSMXYPK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.187g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.405g/mol
Monoisotopic Mass:
358.187g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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