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LS-110824,4-(2-Anilinoethyl)-1-piperazinecarboxylic acid cyclohexyl es

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摘 要:LS-110824,4-(2-Anilinoethyl)-1-piperazinecarboxylic acid cyclohexyl ester hydrochloride,1-Piperazinecarboxylic acid, 4-(2-anilinoethyl)-, cyclohexyl ester, hydrochloride,19564-18-2, cyclohexyl 4-(2-anilinoethyl)piperazine-1-carboxylate hydrochloride,
[Synonyms]
LS-110824
4-(2-Anilinoethyl)-1-piperazinecarboxylic acid cyclohexyl ester hydrochloride
1-Piperazinecarboxylic acid, 4-(2-anilinoethyl)-, cyclohexyl ester, hydrochloride
19564-18-2

[Structure]
LS-110824,4-(2-Anilinoethyl)-1-piperazinecarboxylic acid cyclohexyl es

[ Properties Computed from Structure]
Molecular Weight367.9134 [g/mol]
Molecular FormulaC19H30ClN3O2
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass367.202655
MonoIsotopic Mass367.202655
Topological Polar Surface Area44.8
Heavy Atom Count25
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: cyclohexyl 4-(2-anilinoethyl)piperazine-1-carboxylate hydrochloride
Canonical SMILES: C1CCC(CC1)OC(=O)N2CCN(CC2)CCNC3=CC=CC=C3.Cl
InChI: InChI=1/C19H29N3O2.ClH/c23-19(24-18-9-5-2-6-10-18)22-15-13-21(14-16-22)
12-11-20-17-7-3-1-4-8-17;/h1,3-4,7-8,18,20H,2,5-6,9-16H2;1H

 
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