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Home > Bromides > 1289007-64-2
1289007-64-2 | Carbamic acid, N-[[1-(5-bromo-2-pyridinyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289007-64-2 Catalog No: AG000YGZ MDL No:MFCD22631675
Product Description
Catalog Number:
AG000YGZ
Chemical Name:
Carbamic acid, N-[[1-(5-bromo-2-pyridinyl)-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289007-64-2
Molecular Formula:
C16H24BrN3O2
Molecular Weight:
370.2847
MDL Number:
MFCD22631675
IUPAC Name:
tert-butyl N-[[1-(5-bromopyridin-2-yl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)19-10-12-6-8-20(9-7-12)14-5-4-13(17)11-18-14/h4-5,11-12H,6-10H2,1-3H3,(H,19,21)
InChI Key:
FIQJVOWRKLGWAS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)c1ccc(cn1)Br
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.291g/mol
Monoisotopic Mass:
369.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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