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1260782-26-0 | Piperidine, 3-(2-phenylethynyl)-
CAS No: 1260782-26-0 Catalog No: AG000R7P MDL No:
Product Description
Catalog Number:
AG000R7P
Chemical Name:
Piperidine, 3-(2-phenylethynyl)-
CAS Number:
1260782-26-0
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
3-(2-phenylethynyl)piperidine
InChI:
InChI=1S/C13H15N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-3,5-6,13-14H,4,7,10-11H2
InChI Key:
HIVQVYBVQSRALM-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)C#Cc1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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