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Home > Fluorides > 1713164-12-5
1713164-12-5 | tert-Butyl [4-(2-fluorobenzyl)piperidin-4-yl]methylcarbamate
CAS No: 1713164-12-5 Catalog No: AG01F6QV MDL No:
Product Description
Catalog Number:
AG01F6QV
Chemical Name:
tert-Butyl [4-(2-fluorobenzyl)piperidin-4-yl]methylcarbamate
CAS Number:
1713164-12-5
Molecular Formula:
C18H27FN2O2
Molecular Weight:
322.4176
IUPAC Name:
tert-butyl N-[[4-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H27FN2O2/c1-17(2,3)23-16(22)21-13-18(8-10-20-11-9-18)12-14-6-4-5-7-15(14)19/h4-7,20H,8-13H2,1-3H3,(H,21,22)
InChI Key:
ULDDNWFBCDZNFB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(CCNCC1)Cc1ccccc1F
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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