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Home > Fluorides > 1707361-61-2
1707361-61-2 | tert-Butyl N-{[4-(2-fluorophenyl)piperidin-4-yl]methyl}carbamate
CAS No: 1707361-61-2 Catalog No: AG01F5WA MDL No:
Product Description
Catalog Number:
AG01F5WA
Chemical Name:
tert-Butyl N-{[4-(2-fluorophenyl)piperidin-4-yl]methyl}carbamate
CAS Number:
1707361-61-2
Molecular Formula:
C17H25FN2O2
Molecular Weight:
308.3910
IUPAC Name:
tert-butyl N-[[4-(2-fluorophenyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C17H25FN2O2/c1-16(2,3)22-15(21)20-12-17(8-10-19-11-9-17)13-6-4-5-7-14(13)18/h4-7,19H,8-12H2,1-3H3,(H,20,21)
InChI Key:
TXSPLUHFXNRPKW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(CCNCC1)c1ccccc1F
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.19g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.397g/mol
Monoisotopic Mass:
308.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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