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Also known as: 799796-66-0, 1-methyl-2-oxo-3-phenylpiperazine, Piperazinone, 1-methyl-3-phenyl- (9ci), Schembl6068770, Dtxsid10461209, Ghforxsvfvcfsn-uhfffaoysa-n
Molecular Formula
C11H14N2O
Molecular Weight
190.24  g/mol
InChI Key
GHFORXSVFVCFSN-UHFFFAOYSA-N

CAS	799796-66-0
1 2D Structure

CAS	799796-66-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methyl-3-phenylpiperazin-2-one
2.1.2 InChI
InChI=1S/C11H14N2O/c1-13-8-7-12-10(11(13)14)9-5-3-2-4-6-9/h2-6,10,12H,7-8H2,1H3
2.1.3 InChI Key
GHFORXSVFVCFSN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCNC(C1=O)C2=CC=CC=C2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 799796-66-0

2. 1-methyl-2-oxo-3-phenylpiperazine

3. Piperazinone, 1-methyl-3-phenyl- (9ci)

4. Schembl6068770

5. Dtxsid10461209

6. Ghforxsvfvcfsn-uhfffaoysa-n

7. 1-methyl(phenyl)-piperazin-2-one

8. Piperazinone, 1-methyl-3-phenyl-

9. Cs-b1169

10. Piperazinone,1-methyl-3-phenyl-(9ci)

11. Db-277788

12. En300-6766510

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 190.24 g/mol
Molecular Formula C11H14N2O
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area32.3
Heavy Atom Count14
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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