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Home > Fluorides > 1707358-38-0
1707358-38-0 | tert-Butyl N-({4-[2-(trifluoromethyl)phenyl]piperidin-4-yl}methyl)carbamate
CAS No: 1707358-38-0 Catalog No: AG01F4EV MDL No:
Product Description
Catalog Number:
AG01F4EV
Chemical Name:
tert-Butyl N-({4-[2-(trifluoromethyl)phenyl]piperidin-4-yl}methyl)carbamate
CAS Number:
1707358-38-0
Molecular Formula:
C18H25F3N2O2
Molecular Weight:
358.3985
IUPAC Name:
tert-butyl N-[[4-[2-(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)13-6-4-5-7-14(13)18(19,20)21/h4-7,22H,8-12H2,1-3H3,(H,23,24)
InChI Key:
PBRKUCBAWHOFQP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(CCNCC1)c1ccccc1C(F)(F)F
Properties
Complexity:
454
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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