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303763-37-3 | Carbamic acid, [1-[(6-bromo-2-pyridinyl)methyl]-4-piperidinyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 303763-37-3 Catalog No: AG002ZW8 MDL No:MFCD09028518
Product Description
Catalog Number:
AG002ZW8
Chemical Name:
Carbamic acid, [1-[(6-bromo-2-pyridinyl)methyl]-4-piperidinyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
303763-37-3
Molecular Formula:
C16H24BrN3O2
Molecular Weight:
370.2847
MDL Number:
MFCD09028518
IUPAC Name:
tert-butyl N-[1-[(6-bromopyridin-2-yl)methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)19-12-7-9-20(10-8-12)11-13-5-4-6-14(17)18-13/h4-6,12H,7-11H2,1-3H3,(H,19,21)
InChI Key:
FWQCRYDNQVDDCE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1cccc(n1)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
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