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116269-54-6 | 1,4'-Bipiperidine, 4-methyl-1'-(phenylmethyl)-
CAS No: 116269-54-6 Catalog No: AG000C2S MDL No:
Product Description
Catalog Number:
AG000C2S
Chemical Name:
1,4'-Bipiperidine, 4-methyl-1'-(phenylmethyl)-
CAS Number:
116269-54-6
Molecular Formula:
C18H28N2
Molecular Weight:
272.4283
IUPAC Name:
1-benzyl-4-(4-methylpiperidin-1-yl)piperidine
InChI:
InChI=1S/C18H28N2/c1-16-7-13-20(14-8-16)18-9-11-19(12-10-18)15-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3
InChI Key:
XDJVHHGHPALECK-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)C1CCN(CC1)Cc1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.436g/mol
Monoisotopic Mass:
272.225g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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