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Home > Fluorides > 1713163-32-6
1713163-32-6 | tert-Butyl 4-[4-(trifluoromethyl)phenyl]piperidin-4-ylmethylcarbamate
CAS No: 1713163-32-6 Catalog No: AG01F54T MDL No:
Product Description
Catalog Number:
AG01F54T
Chemical Name:
tert-Butyl 4-[4-(trifluoromethyl)phenyl]piperidin-4-ylmethylcarbamate
CAS Number:
1713163-32-6
Molecular Formula:
C18H25F3N2O2
Molecular Weight:
358.3985
IUPAC Name:
tert-butyl N-[[4-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H25F3N2O2/c1-16(2,3)25-15(24)23-12-17(8-10-22-11-9-17)13-4-6-14(7-5-13)18(19,20)21/h4-7,22H,8-12H2,1-3H3,(H,23,24)
InChI Key:
GAUPDNVTILVWRD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(CCNCC1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
446
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:
2
Isotope Atom Count:
0
Molecular Weight:
358.405g/mol
Monoisotopic Mass:
358.187g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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