4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one

C11H13FNOP — CID 176969199

IUPAC4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
SMILESO=C1CC(c2ccc(F)c(P)c2)CCN1
InChIInChI=1S/C11H13FNOP/c12-9-2-1-7(5-10(9)15)8-3-4-13-11(14)6-8/h1-2,5,8H,3-4,6,15H2,(H,13,14)
InChIKeyIJJFSPLAZMNDNI-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.32
Rot. Bonds1

About 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one

4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one (PubChem CID 176969199) has the molecular formula C11H13FNOP and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one.

Molecular Properties

Compound Name4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
PubChem CID176969199
Molecular FormulaC11H13FNOP
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
SMILESO=C1CC(c2ccc(F)c(P)c2)CCN1
InChIInChI=1S/C11H13FNOP/c12-9-2-1-7(5-10(9)15)8-3-4-13-11(14)6-8/h1-2,5,8H,3-4,6,15H2,(H,13,14)
InChIKeyIJJFSPLAZMNDNI-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6S)-5-(4-fluoro-3-phosphanylphenyl)-6-methylmorpholin-3-one
CID 142000827
(4S)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634583
(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634582
(4R)-4-(4-tert-butylphenyl)piperidin-2-one
CID 129394297
4-(4-tert-butylphenyl)piperidin-2-one
CID 58901934
(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one
CID 124634598
4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one
CID 53417808
(4S)-4-[4-(chloromethyl)phenyl]piperidin-2-one
CID 124634482
(4R)-4-(4-amino-2-fluorophenyl)piperidin-2-one
CID 124634526
(4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one
CID 124634458
4-(4-acetyl-2-fluorophenyl)piperidin-2-one
CID 53417743
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one?
The IUPAC name of 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one (CID 176969199) is 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one.
What is the SMILES notation for 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one?
The canonical SMILES for 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one is O=C1CC(c2ccc(F)c(P)c2)CCN1.
What is the InChIKey of 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one?
The InChIKey is IJJFSPLAZMNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FNOP/c12-9-2-1-7(5-10(9)15)8-3-4-13-11(14)6-8/h1-2,5,8H,3-4,6,15H2,(H,13,14).
What are the key properties of 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one?
4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one has a molecular weight of 225.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one is sourced from PubChem (CID 176969199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).