CAS 5368-23-0

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-benzyl-3-phenylpiperazin-2-one

2.1.2 InChI

InChI=1S/C17H18N2O/c20-17-16(15-9-5-2-6-10-15)19(12-11-18-17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,18,20)

2.1.3 InChI Key

JUWZYKUNWPTANZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)CC3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5368-23-0

2. Nsc70394

3. Starbld0019152

4. Schembl6068444

5. Dtxsid80290684

6. Juwzykunwptanz-uhfffaoysa-n

7. 4-benzyl-2-oxo-3-phenylpiperazine

8. Nsc-70394

9. 2-piperazinone, 3-phenyl-4-(phenylmethyl)-

10. Cs-0162919

11. D85588

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₈N₂O
Molecular Weight	266.34 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	32.3
Heavy Atom Count	20
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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