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1261231-05-3 | 1-Piperidinecarboxylic acid, 4-[[(5-chloro-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS No: 1261231-05-3 Catalog No: AG000RNN MDL No:MFCD18380071
Product Description
Catalog Number:
AG000RNN
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[(5-chloro-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1261231-05-3
Molecular Formula:
C15H22ClN3O3
Molecular Weight:
327.8065
MDL Number:
MFCD18380071
IUPAC Name:
tert-butyl 4-[(5-chloropyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
InChI:
InChI=1S/C15H22ClN3O3/c1-15(2,3)22-14(20)19-6-4-11(5-7-19)10-21-13-17-8-12(16)9-18-13/h8-9,11H,4-7,10H2,1-3H3
InChI Key:
QQQWLPKSQFIONH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)COc1ncc(cn1)Cl)OC(C)(C)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.135g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.809g/mol
Monoisotopic Mass:
327.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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