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1169699-63-1 | Acetamide, 2-chloro-N-[[4-hydroxy-1-(phenylmethyl)-4-piperidinyl]methyl]-
CAS No: 1169699-63-1 Catalog No: AG000DFI MDL No:MFCD14584421
Product Description
Catalog Number:
AG000DFI
Chemical Name:
Acetamide, 2-chloro-N-[[4-hydroxy-1-(phenylmethyl)-4-piperidinyl]methyl]-
CAS Number:
1169699-63-1
Molecular Formula:
C15H21ClN2O2
Molecular Weight:
296.7924
MDL Number:
MFCD14584421
IUPAC Name:
N-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-2-chloroacetamide
InChI:
InChI=1S/C15H21ClN2O2/c16-10-14(19)17-12-15(20)6-8-18(9-7-15)11-13-4-2-1-3-5-13/h1-5,20H,6-12H2,(H,17,19)
InChI Key:
VDHCIQOLNNSELU-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCC1(O)CCN(CC1)Cc1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.795g/mol
Monoisotopic Mass:
296.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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