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1-[(3,5-dimethylphenyl)methyl]piperazin-2-one hydrochloride

1-[(3,5-dimethylphenyl)methyl]piperazin-2-one hydrochloride

CAS: 1255718-12-7

Formula: C13H19ClN2O

SMILES: Cl.CC1=CC(CN2CCNCC2=O)=CC(C)=C1

IUPAC: 1-[(3,5-dimethylphenyl)methyl]piperazin-2-one hydrochloride

InChI: InChI=1S/C13H18N2O.ClH/c1-10-5-11(2)7-12(6-10)9-15-4-3-14-8-13(15)16;/h5-7,14H,3-4,8-9H2,1-2H3;1H

Composition: C (61.29%), H (7.52%), Cl (13.92%), N (11.00%), O (6.28%)

Molar Mass: 254.76

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 254.1185909
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WIRMYUHQJTWEJV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.12
Topological Polar Surface Area 32.34
Polarizability 25.07
Ring Count 2
Rotatable Bond Count 2

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