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16332-18-6 | 4-Piperidinol, 4-(4-bromophenyl)-1-(phenylmethyl)-
CAS No: 16332-18-6 Catalog No: AG001U1Y MDL No:MFCD01467907
Product Description
Catalog Number:
AG001U1Y
Chemical Name:
4-Piperidinol, 4-(4-bromophenyl)-1-(phenylmethyl)-
CAS Number:
16332-18-6
Molecular Formula:
C18H20BrNO
Molecular Weight:
346.2615
MDL Number:
MFCD01467907
IUPAC Name:
1-benzyl-4-(4-bromophenyl)piperidin-4-ol
InChI:
InChI=1S/C18H20BrNO/c19-17-8-6-16(7-9-17)18(21)10-12-20(13-11-18)14-15-4-2-1-3-5-15/h1-9,21H,10-14H2
InChI Key:
MZPGLOYTGMFUGC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1(O)CCN(CC1)Cc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.268g/mol
Monoisotopic Mass:
345.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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