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87887-88-5 | Piperazine, 1-(diphenylmethyl)-4-[2-(1-piperidinyl)ethyl]-, ethanedioate
CAS No: 87887-88-5 Catalog No: AG004E6R MDL No:
Product Description
Catalog Number:
AG004E6R
Chemical Name:
Piperazine, 1-(diphenylmethyl)-4-[2-(1-piperidinyl)ethyl]-, ethanedioate
CAS Number:
87887-88-5
Molecular Formula:
C26H35N3O4
Molecular Weight:
453.5738
IUPAC Name:
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
InChI:
InChI=1S/C24H33N3.C2H2O4/c1-4-10-22(11-5-1)24(23-12-6-2-7-13-23)27-20-18-26(19-21-27)17-16-25-14-8-3-9-15-25;3-1(4)2(5)6/h1-2,4-7,10-13,24H,3,8-9,14-21H2;(H,3,4)(H,5,6)
InChI Key:
IUMYBZGTZBQJNE-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CCN1CCN(CC1)C(c1ccccc1)c1ccccc1.OC(=O)C(=O)O
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.263g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
453.583g/mol
Monoisotopic Mass:
453.263g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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