3-[(4-fluorophenyl)methylidene]piperidin-2-one

C12H12FNO — CID 57351446

IUPAC3-[(4-fluorophenyl)methylidene]piperidin-2-one
SMILESO=C1NCCCC1=Cc1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,8H,1-2,7H2,(H,14,15)
InChIKeyBLKNAAHKUZGRNB-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.12
Rot. Bonds1

About 3-[(4-fluorophenyl)methylidene]piperidin-2-one

3-[(4-fluorophenyl)methylidene]piperidin-2-one (PubChem CID 57351446) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylidene]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylidene]piperidin-2-one
PubChem CID57351446
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name3-[(4-fluorophenyl)methylidene]piperidin-2-one
SMILESO=C1NCCCC1=Cc1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,8H,1-2,7H2,(H,14,15)
InChIKeyBLKNAAHKUZGRNB-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylidene]piperidin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methylidene]piperidin-2-one (CID 57351446) is 3-[(4-fluorophenyl)methylidene]piperidin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methylidene]piperidin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methylidene]piperidin-2-one is O=C1NCCCC1=Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylidene]piperidin-2-one?
The InChIKey is BLKNAAHKUZGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,8H,1-2,7H2,(H,14,15).
What are the key properties of 3-[(4-fluorophenyl)methylidene]piperidin-2-one?
3-[(4-fluorophenyl)methylidene]piperidin-2-one has a molecular weight of 205.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylidene]piperidin-2-one is sourced from PubChem (CID 57351446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).