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18097-10-4 | Piperidine, 1-(2-phenylethyl)-2-(phenylmethyl)-, hydrobromide (1:1)
CAS No: 18097-10-4 Catalog No: AG0022IF MDL No:
Product Description
Catalog Number:
AG0022IF
Chemical Name:
Piperidine, 1-(2-phenylethyl)-2-(phenylmethyl)-, hydrobromide (1:1)
CAS Number:
18097-10-4
Molecular Formula:
C20H26BrN
Molecular Weight:
360.3311
IUPAC Name:
2-benzyl-1-(2-phenylethyl)piperidine
InChI:
InChI=1S/C20H25N/c1-3-9-18(10-4-1)14-16-21-15-8-7-13-20(21)17-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2
InChI Key:
XCXQNUPAWHSDDV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCN1CCCCC1Cc1ccccc1.Br
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.199g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.427g/mol
Monoisotopic Mass:
279.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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