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203321-87-3 | Carbamic acid, [6-[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]methyl]-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 203321-87-3 Catalog No: AG0028TQ MDL No:
Product Description
Catalog Number:
AG0028TQ
Chemical Name:
Carbamic acid, [6-[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]methyl]-2-pyridinyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
203321-87-3
Molecular Formula:
C21H34N4O4
Molecular Weight:
406.5191
IUPAC Name:
tert-butyl N-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C19H30N2O4/c1-19(2,3)25-18(23)20-16-7-9-21(10-8-16)14-15-5-4-6-17(13-15)24-12-11-22/h4-6,13,16,22H,7-12,14H2,1-3H3,(H,20,23)
InChI Key:
BOTJIKBUYIDYGF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1cccc(n1)NC(=O)OC(C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.221g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.459g/mol
Monoisotopic Mass:
350.221g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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