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Home > Fluorides > 1261230-06-1
1261230-06-1 | [1-(5-Fluoro-pyrimidin-2-yl)-piperidin-3-yl]-carbamic acid tert-butyl ester
CAS No: 1261230-06-1 Catalog No: AG01F4BX MDL No:
Product Description
Catalog Number:
AG01F4BX
Chemical Name:
[1-(5-Fluoro-pyrimidin-2-yl)-piperidin-3-yl]-carbamic acid tert-butyl ester
CAS Number:
1261230-06-1
Molecular Formula:
C14H21FN4O2
Molecular Weight:
296.3405
IUPAC Name:
tert-butyl N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C14H21FN4O2/c1-14(2,3)21-13(20)18-11-5-4-6-19(9-11)12-16-7-10(15)8-17-12/h7-8,11H,4-6,9H2,1-3H3,(H,18,20)
InChI Key:
HHUWQUQYOPTZLN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCN(C1)c1ncc(cn1)F
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.165g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.346g/mol
Monoisotopic Mass:
296.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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