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Home > Fluorides > 1707358-35-7
1707358-35-7 | tert-Butyl N-[(4-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)methyl]carbamate
CAS No: 1707358-35-7 Catalog No: AG01F3LT MDL No:
Product Description
Catalog Number:
AG01F3LT
Chemical Name:
tert-Butyl N-[(4-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)methyl]carbamate
CAS Number:
1707358-35-7
Molecular Formula:
C19H27F3N2O2
Molecular Weight:
372.4251
IUPAC Name:
tert-butyl N-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C19H27F3N2O2/c1-17(2,3)26-16(25)24-13-18(8-10-23-11-9-18)12-14-4-6-15(7-5-14)19(20,21)22/h4-7,23H,8-13H2,1-3H3,(H,24,25)
InChI Key:
YNJPMQQMPMWQCI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(CCNCC1)Cc1ccc(cc1)C(F)(F)F
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.202g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.432g/mol
Monoisotopic Mass:
372.202g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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