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Home > Fluorides > 1376609-36-7
1376609-36-7 | Carbamic acid, N-[(3R,4R)-3-fluoro-4-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester, rel-
CAS No: 1376609-36-7 Catalog No: AG0013OZ MDL No:MFCD28502737
Product Description
Catalog Number:
AG0013OZ
Chemical Name:
Carbamic acid, N-[(3R,4R)-3-fluoro-4-piperidinyl]-N-methyl-, 1,1-dimethylethyl ester, rel-
CAS Number:
1376609-36-7
Molecular Formula:
C11H21FN2O2
Molecular Weight:
232.2950
MDL Number:
MFCD28502737
IUPAC Name:
tert-butyl N-[(3S,4S)-3-fluoropiperidin-4-yl]-N-methylcarbamate
InChI:
InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14(4)9-5-6-13-7-8(9)12/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1
InChI Key:
VGCKWWMMIKCCKU-IUCAKERBSA-N
SMILES:
F[C@@H]1CNCC[C@H]1N(C(=O)OC(C)(C)C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
232.159g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.299g/mol
Monoisotopic Mass:
232.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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