(6S)-6-(difluoromethyl)-4-methylpiperazin-2-one

C6H10F2N2O — CID 146265435

IUPAC(6S)-6-(difluoromethyl)-4-methylpiperazin-2-one
SMILESCN1CC(=O)N[C@H](C(F)F)C1
InChIInChI=1S/C6H10F2N2O/c1-10-2-4(6(7)8)9-5(11)3-10/h4,6H,2-3H2,1H3,(H,9,11)/t4-/m0/s1
InChIKeyLUKDQTRJBXROGL-BYPYZUCNSA-N
MW164.16 g/mol
LogP-0.32
Rot. Bonds1

About (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one

(6S)-6-(difluoromethyl)-4-methylpiperazin-2-one (PubChem CID 146265435) has the molecular formula C6H10F2N2O and a molecular weight of 164.16 g/mol. Its IUPAC name is (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one.

Molecular Properties

Compound Name(6S)-6-(difluoromethyl)-4-methylpiperazin-2-one
PubChem CID146265435
Molecular FormulaC6H10F2N2O
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name(6S)-6-(difluoromethyl)-4-methylpiperazin-2-one
SMILESCN1CC(=O)N[C@H](C(F)F)C1
InChIInChI=1S/C6H10F2N2O/c1-10-2-4(6(7)8)9-5(11)3-10/h4,6H,2-3H2,1H3,(H,9,11)/t4-/m0/s1
InChIKeyLUKDQTRJBXROGL-BYPYZUCNSA-N
XLogP-0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one?
The IUPAC name of (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one (CID 146265435) is (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one.
What is the SMILES notation for (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one?
The canonical SMILES for (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one is CN1CC(=O)N[C@H](C(F)F)C1.
What is the InChIKey of (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one?
The InChIKey is LUKDQTRJBXROGL-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10F2N2O/c1-10-2-4(6(7)8)9-5(11)3-10/h4,6H,2-3H2,1H3,(H,9,11)/t4-/m0/s1.
What are the key properties of (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one?
(6S)-6-(difluoromethyl)-4-methylpiperazin-2-one has a molecular weight of 164.16 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(difluoromethyl)-4-methylpiperazin-2-one is sourced from PubChem (CID 146265435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).