6-benzyl-3,3-dimethylpiperazin-2-one

C13H18N2O — CID 91187776

IUPAC6-benzyl-3,3-dimethylpiperazin-2-one
SMILESCC1(C)NCC(Cc2ccccc2)NC1=O
InChIInChI=1S/C13H18N2O/c1-13(2)12(16)15-11(9-14-13)8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyURWDEPHZHXZOIZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.10
Rot. Bonds2

About 6-benzyl-3,3-dimethylpiperazin-2-one

6-benzyl-3,3-dimethylpiperazin-2-one (PubChem CID 91187776) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-benzyl-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name6-benzyl-3,3-dimethylpiperazin-2-one
PubChem CID91187776
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-benzyl-3,3-dimethylpiperazin-2-one
SMILESCC1(C)NCC(Cc2ccccc2)NC1=O
InChIInChI=1S/C13H18N2O/c1-13(2)12(16)15-11(9-14-13)8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,15,16)
InChIKeyURWDEPHZHXZOIZ-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3,3-dimethylpiperazin-2-one?
The IUPAC name of 6-benzyl-3,3-dimethylpiperazin-2-one (CID 91187776) is 6-benzyl-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 6-benzyl-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 6-benzyl-3,3-dimethylpiperazin-2-one is CC1(C)NCC(Cc2ccccc2)NC1=O.
What is the InChIKey of 6-benzyl-3,3-dimethylpiperazin-2-one?
The InChIKey is URWDEPHZHXZOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2)12(16)15-11(9-14-13)8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 6-benzyl-3,3-dimethylpiperazin-2-one?
6-benzyl-3,3-dimethylpiperazin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 91187776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).