1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one

C12H14ClFN2O — CID 66645565

IUPAC1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one
SMILESCC1(C)CN(c2cc(Cl)ccc2F)C(=O)CN1
InChIInChI=1S/C12H14ClFN2O/c1-12(2)7-16(11(17)6-15-12)10-5-8(13)3-4-9(10)14/h3-5,15H,6-7H2,1-2H3
InChIKeyMNGXCNUBAYRJJN-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.19
Rot. Bonds1

About 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one

1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one (PubChem CID 66645565) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one
PubChem CID66645565
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one
SMILESCC1(C)CN(c2cc(Cl)ccc2F)C(=O)CN1
InChIInChI=1S/C12H14ClFN2O/c1-12(2)7-16(11(17)6-15-12)10-5-8(13)3-4-9(10)14/h3-5,15H,6-7H2,1-2H3
InChIKeyMNGXCNUBAYRJJN-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one (CID 66645565) is 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one is CC1(C)CN(c2cc(Cl)ccc2F)C(=O)CN1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one?
The InChIKey is MNGXCNUBAYRJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c1-12(2)7-16(11(17)6-15-12)10-5-8(13)3-4-9(10)14/h3-5,15H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one?
1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one has a molecular weight of 256.71 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 66645565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).