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1014695-50-1 | 4-Piperidin-2,2,6,6-d4-ol, 1-(phenylmethyl)-
CAS No: 1014695-50-1 Catalog No: AG0004J9 MDL No:
Product Description
Catalog Number:
AG0004J9
Chemical Name:
4-Piperidin-2,2,6,6-d4-ol, 1-(phenylmethyl)-
CAS Number:
1014695-50-1
Molecular Formula:
C12H13D4NO
Molecular Weight:
195.2941
IUPAC Name:
1-benzyl-2,2,6,6-tetradeuteriopiperidin-4-ol
InChI:
InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/i8D2,9D2
InChI Key:
BPPZXJZYCOETDA-LZMSFWOYSA-N
SMILES:
C1([2H])([2H])CC(O)CC(N1Cc1ccccc1)([2H])[2H]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.156g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
4
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.156g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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