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136647-02-4 | Piperidine, 4-[(diphenylmethoxy)methyl]-1-[3-(4-methoxyphenyl)propyl]-, hydrochloride (1:1)
CAS No: 136647-02-4 Catalog No: AG00126R MDL No:MFCD16875438
Product Description
Catalog Number:
AG00126R
Chemical Name:
Piperidine, 4-[(diphenylmethoxy)methyl]-1-[3-(4-methoxyphenyl)propyl]-, hydrochloride (1:1)
CAS Number:
136647-02-4
Molecular Formula:
C29H36ClNO2
Molecular Weight:
466.0546
MDL Number:
MFCD16875438
IUPAC Name:
4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine;hydrochloride
InChI:
InChI=1S/C29H35NO2.ClH/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27;/h2-7,10-17,25,29H,8-9,18-23H2,1H3;1H
InChI Key:
ZZSQARULZYQMIG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CCCN1CCC(CC1)COC(c1ccccc1)c1ccccc1.Cl
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.243g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.062g/mol
Monoisotopic Mass:
465.243g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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