2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one

C11H19FN2O — CID 144859636

IUPAC2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
SMILESC=CCN1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C11H19FN2O/c1-4-5-13-6-8-14(9-7-13)10(15)11(2,3)12/h4H,1,5-9H2,2-3H3
InChIKeyNYOGZPDYWUUBHK-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.06
Rot. Bonds3

About 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one

2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one (PubChem CID 144859636) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
PubChem CID144859636
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
SMILESC=CCN1CCN(C(=O)C(C)(C)F)CC1
InChIInChI=1S/C11H19FN2O/c1-4-5-13-6-8-14(9-7-13)10(15)11(2,3)12/h4H,1,5-9H2,2-3H3
InChIKeyNYOGZPDYWUUBHK-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one (CID 144859636) is 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one is C=CCN1CCN(C(=O)C(C)(C)F)CC1.
What is the InChIKey of 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
The InChIKey is NYOGZPDYWUUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-4-5-13-6-8-14(9-7-13)10(15)11(2,3)12/h4H,1,5-9H2,2-3H3.
What are the key properties of 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one?
2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-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 2-fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 144859636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).