(3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one

C11H19FN2O — CID 143869598

IUPAC(3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1C(=O)[C@](C)(CF)N(C)C[C@@H]1C
InChIInChI=1S/C11H19FN2O/c1-5-6-14-9(2)7-13(4)11(3,8-12)10(14)15/h5,9H,1,6-8H2,2-4H3/t9-,11-/m0/s1
InChIKeyLBVSUGZBALVPDB-ONGXEEELSA-N
MW214.28 g/mol
LogP1.06
Rot. Bonds3

About (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one

(3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one (PubChem CID 143869598) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name(3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one
PubChem CID143869598
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name(3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1C(=O)[C@](C)(CF)N(C)C[C@@H]1C
InChIInChI=1S/C11H19FN2O/c1-5-6-14-9(2)7-13(4)11(3,8-12)10(14)15/h5,9H,1,6-8H2,2-4H3/t9-,11-/m0/s1
InChIKeyLBVSUGZBALVPDB-ONGXEEELSA-N
XLogP1.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one?
The IUPAC name of (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one (CID 143869598) is (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one.
What is the SMILES notation for (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one?
The canonical SMILES for (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one is C=CCN1C(=O)[C@](C)(CF)N(C)C[C@@H]1C.
What is the InChIKey of (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one?
The InChIKey is LBVSUGZBALVPDB-ONGXEEELSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-5-6-14-9(2)7-13(4)11(3,8-12)10(14)15/h5,9H,1,6-8H2,2-4H3/t9-,11-/m0/s1.
What are the key properties of (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one?
(3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one has a molecular weight of 214.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-(fluoromethyl)-3,4,6-trimethyl-1-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 143869598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).