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20845-63-0 | Piperidine, 4-[3-(4-methoxyphenyl)-1H-inden-2-yl]-1-methyl-, hydrochloride (1:1)
CAS No: 20845-63-0 Catalog No: AG002JP2 MDL No:
Product Description
Catalog Number:
AG002JP2
Chemical Name:
Piperidine, 4-[3-(4-methoxyphenyl)-1H-inden-2-yl]-1-methyl-, hydrochloride (1:1)
CAS Number:
20845-63-0
Molecular Formula:
C22H26ClNO
Molecular Weight:
355.9009
IUPAC Name:
4-[3-(4-methoxyphenyl)-1H-inden-2-yl]-1-methylpiperidine;hydrochloride
InChI:
InChI=1S/C22H25NO.ClH/c1-23-13-11-16(12-14-23)21-15-18-5-3-4-6-20(18)22(21)17-7-9-19(24-2)10-8-17;/h3-10,16H,11-15H2,1-2H3;1H
InChI Key:
QYHLNNOTPMUUPG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=C(Cc2c1cccc2)C1CCN(CC1)C.Cl
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.17g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.906g/mol
Monoisotopic Mass:
355.17g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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