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Home > Fluorides > 1258755-59-7
1258755-59-7 | tert-Butyl [1-(2-fluorobenzoyl)piperidin-4-yl]methylcarbamate
CAS No: 1258755-59-7 Catalog No: AG01F6DU MDL No:
Product Description
Catalog Number:
AG01F6DU
Chemical Name:
tert-Butyl [1-(2-fluorobenzoyl)piperidin-4-yl]methylcarbamate
CAS Number:
1258755-59-7
Molecular Formula:
C18H25FN2O3
Molecular Weight:
336.4011
IUPAC Name:
tert-butyl N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)20-12-13-8-10-21(11-9-13)16(22)14-6-4-5-7-15(14)19/h4-7,13H,8-12H2,1-3H3,(H,20,23)
InChI Key:
BBOQADKNZOCDSI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)C(=O)c1ccccc1F
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.185g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.407g/mol
Monoisotopic Mass:
336.185g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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