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Home > Fluorides > 1252271-92-3
1252271-92-3 | tert-Butyl [1-(3-fluorobenzoyl)piperidin-4-yl]methylcarbamate
CAS No: 1252271-92-3 Catalog No: AG01F6DR MDL No:
Product Description
Catalog Number:
AG01F6DR
Chemical Name:
tert-Butyl [1-(3-fluorobenzoyl)piperidin-4-yl]methylcarbamate
CAS Number:
1252271-92-3
Molecular Formula:
C18H25FN2O3
Molecular Weight:
336.4011
IUPAC Name:
tert-butyl N-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H25FN2O3/c1-18(2,3)24-17(23)20-12-13-7-9-21(10-8-13)16(22)14-5-4-6-15(19)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,23)
InChI Key:
QTJRBUAPIXDZEO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)C(=O)c1cccc(c1)F
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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