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90125-60-3 | Piperazine, 1-(phenylmethyl)-4-[2-(2-pyridinyl)ethyl]-
CAS No: 90125-60-3 Catalog No: AG00H799 MDL No:
Product Description
Catalog Number:
AG00H799
Chemical Name:
Piperazine, 1-(phenylmethyl)-4-[2-(2-pyridinyl)ethyl]-
CAS Number:
90125-60-3
Molecular Formula:
C18H23N3
Molecular Weight:
281.3953
IUPAC Name:
1-benzyl-4-(2-pyridin-2-ylethyl)piperazine
InChI:
InChI=1S/C18H23N3/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-9-18-8-4-5-10-19-18/h1-8,10H,9,11-16H2
InChI Key:
ALFQBSNMEKECKA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCN(CC1)CCc1ccccn1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.403g/mol
Monoisotopic Mass:
281.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
19.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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