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1224508-42-2 | Piperidine, 1-[1-cyclohexyl-3-(3-ethynylphenyl)-2-propyn-1-yl]-
CAS No: 1224508-42-2 Catalog No: AG00178C MDL No:
Product Description
Catalog Number:
AG00178C
Chemical Name:
Piperidine, 1-[1-cyclohexyl-3-(3-ethynylphenyl)-2-propyn-1-yl]-
CAS Number:
1224508-42-2
Molecular Formula:
C22H27N
Molecular Weight:
305.4565
IUPAC Name:
1-[1-cyclohexyl-3-(3-ethynylphenyl)prop-2-ynyl]piperidine
InChI:
InChI=1S/C22H27N/c1-2-19-10-9-11-20(18-19)14-15-22(21-12-5-3-6-13-21)23-16-7-4-8-17-23/h1,9-11,18,21-22H,3-8,12-13,16-17H2
InChI Key:
FOLSNLACSBCOEO-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)C#CC(N1CCCCC1)C1CCCCC1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.214g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.465g/mol
Monoisotopic Mass:
305.214g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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