T2G

1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one

Created: 2020-03-16
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count38
Aromatic Bond Count6
2D diagram of T2G

Chemical Component Summary

Name1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
Systematic Name (OpenEye OEToolkits)1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
FormulaC14 H20 N2 O
Molecular Weight232.321
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01N2(CCN(Cc1cccc(c1)C)CC2)C(=O)C
SMILESCACTVS3.385CC(=O)N1CCN(CC1)Cc2cccc(C)c2
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)CN2CCN(CC2)C(=O)C
Canonical SMILESCACTVS3.385 CC(=O)N1CCN(CC1)Cc2cccc(C)c2
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cccc(c1)CN2CCN(CC2)C(=O)C
InChIInChI1.03 InChI=1S/C14H20N2O/c1-12-4-3-5-14(10-12)11-15-6-8-16(9-7-15)13(2)17/h3-5,10H,6-9,11H2,1-2H3
InChIKeyInChI1.03 CMCBVCKQOHOWJO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 19325375