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Home > Fluorides > 1261231-12-2
1261231-12-2 | [1-(5-Fluoro-pyrimidin-2-yl)-piperidin-4-ylmethyl]-carbamic acid tert-butyl ester
CAS No: 1261231-12-2 Catalog No: AG01F3Q3 MDL No:
Product Description
Catalog Number:
AG01F3Q3
Chemical Name:
[1-(5-Fluoro-pyrimidin-2-yl)-piperidin-4-ylmethyl]-carbamic acid tert-butyl ester
CAS Number:
1261231-12-2
Molecular Formula:
C15H23FN4O2
Molecular Weight:
310.3671
IUPAC Name:
tert-butyl N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C15H23FN4O2/c1-15(2,3)22-14(21)19-8-11-4-6-20(7-5-11)13-17-9-12(16)10-18-13/h9-11H,4-8H2,1-3H3,(H,19,21)
InChI Key:
ZGBGZYRJWIZONN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)c1ncc(cn1)F
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.181g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.373g/mol
Monoisotopic Mass:
310.181g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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