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848598-55-0 | Piperidine, 1-[1-(phenylethynyl)pentyl]-
CAS No: 848598-55-0 Catalog No: AG004WO2 MDL No:
Product Description
Catalog Number:
AG004WO2
Chemical Name:
Piperidine, 1-[1-(phenylethynyl)pentyl]-
CAS Number:
848598-55-0
Molecular Formula:
C18H25N
Molecular Weight:
255.3978
IUPAC Name:
1-(1-phenylhept-1-yn-3-yl)piperidine
InChI:
InChI=1S/C18H25N/c1-2-3-12-18(19-15-8-5-9-16-19)14-13-17-10-6-4-7-11-17/h4,6-7,10-11,18H,2-3,5,8-9,12,15-16H2,1H3
InChI Key:
YCWVRBKNGSLXND-UHFFFAOYSA-N
SMILES:
CCCCC(N1CCCCC1)C#Cc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.405g/mol
Monoisotopic Mass:
255.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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