2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one

C11H19FN2O — CID 156531721

IUPAC2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C11H19FN2O/c1-8(2)13-5-6-14(9(3)7-13)11(15)10(4)12/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyAWWWXJOANLCPLR-SECBINFHSA-N
MW214.28 g/mol
LogP1.41
Rot. Bonds2

About 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one

2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one (PubChem CID 156531721) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
PubChem CID156531721
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCN(C(C)C)C[C@H]1C
InChIInChI=1S/C11H19FN2O/c1-8(2)13-5-6-14(9(3)7-13)11(15)10(4)12/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyAWWWXJOANLCPLR-SECBINFHSA-N
XLogP1.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-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 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one (CID 156531721) is 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one is C=C(F)C(=O)N1CCN(C(C)C)C[C@H]1C.
What is the InChIKey of 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
The InChIKey is AWWWXJOANLCPLR-SECBINFHSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-8(2)13-5-6-14(9(3)7-13)11(15)10(4)12/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one?
2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one has a molecular weight of 214.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 156531721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).