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1286272-71-6 | tert-Butyl 1-(3-chlorobenzyl)piperidin-4-ylcarbamate
CAS No: 1286272-71-6 Catalog No: AG01F8G5 MDL No:
Product Description
Catalog Number:
AG01F8G5
Chemical Name:
tert-Butyl 1-(3-chlorobenzyl)piperidin-4-ylcarbamate
CAS Number:
1286272-71-6
Molecular Formula:
C17H25ClN2O2
Molecular Weight:
324.8456
IUPAC Name:
tert-butyl N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H25ClN2O2/c1-17(2,3)22-16(21)19-15-7-9-20(10-8-15)12-13-5-4-6-14(18)11-13/h4-6,11,15H,7-10,12H2,1-3H3,(H,19,21)
InChI Key:
INPOLVZYFMSOSM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1cccc(c1)Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.16g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.849g/mol
Monoisotopic Mass:
324.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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