3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one

3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one

CAS: 1094601-63-4

Formula: C13H18N2O

SMILES: CC1NCCN(CC2=CC(C)=CC=C2)C1=O

IUPAC: 3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one

InChI: InChI=1/C13H18N2O/c1-10-4-3-5-12(8-10)9-15-7-6-14-11(2)13(15)16/h3-5,8,11,14H,6-7,9H2,1-2H3

Composition: C (71.53%), H (8.31%), N (12.83%), O (7.33%)

Molar Mass: 218.3

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	218.141913208
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BJTCKRDDGJDCAD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.57
Topological Polar Surface Area	32.34
Polarizability	25.15
Ring Count	2
Rotatable Bond Count	2

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