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Home > Fluorides > 1707367-89-2
1707367-89-2 | tert-Butyl [4-(3-fluorobenzyl)piperidin-4-yl]methylcarbamate
CAS No: 1707367-89-2 Catalog No: AG01F6QO MDL No:
Product Description
Catalog Number:
AG01F6QO
Chemical Name:
tert-Butyl [4-(3-fluorobenzyl)piperidin-4-yl]methylcarbamate
CAS Number:
1707367-89-2
Molecular Formula:
C18H27FN2O2
Molecular Weight:
322.4176
IUPAC Name:
tert-butyl N-[[4-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H27FN2O2/c1-17(2,3)23-16(22)21-13-18(7-9-20-10-8-18)12-14-5-4-6-15(19)11-14/h4-6,11,20H,7-10,12-13H2,1-3H3,(H,21,22)
InChI Key:
IWQSJRFOSQAZLO-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(CCNCC1)Cc1cccc(c1)F
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.206g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.424g/mol
Monoisotopic Mass:
322.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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