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1289388-45-9 | 4-Piperidinemethanol, 1-[(2,6-dichlorophenyl)methyl]-
CAS No: 1289388-45-9 Catalog No: AG000YO1 MDL No:
Product Description
Catalog Number:
AG000YO1
Chemical Name:
4-Piperidinemethanol, 1-[(2,6-dichlorophenyl)methyl]-
CAS Number:
1289388-45-9
Molecular Formula:
C13H17Cl2NO
Molecular Weight:
274.1862
IUPAC Name:
[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methanol
InChI:
InChI=1S/C13H17Cl2NO/c14-12-2-1-3-13(15)11(12)8-16-6-4-10(9-17)5-7-16/h1-3,10,17H,4-9H2
InChI Key:
BVNKVBVIAXFGNK-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)Cc1c(Cl)cccc1Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.185g/mol
Monoisotopic Mass:
273.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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