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102458-70-8 | Piperidine, 2-[(3,4-dimethoxyphenyl)methyl]-
CAS No: 102458-70-8 Catalog No: AG0007IF MDL No:
Product Description
Catalog Number:
AG0007IF
Chemical Name:
Piperidine, 2-[(3,4-dimethoxyphenyl)methyl]-
CAS Number:
102458-70-8
Molecular Formula:
C14H21NO2
Molecular Weight:
235.3220
IUPAC Name:
2-[(3,4-dimethoxyphenyl)methyl]piperidine
InChI:
InChI=1S/C14H21NO2/c1-16-13-7-6-11(10-14(13)17-2)9-12-5-3-4-8-15-12/h6-7,10,12,15H,3-5,8-9H2,1-2H3
InChI Key:
DZYNVPSRGBLHEC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC1CCCCN1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.327g/mol
Monoisotopic Mass:
235.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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