4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one

C11H13FN2O — CID 59327010

IUPAC4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one
SMILESCN1CCC(c2cccnc2F)CC1=O
InChIInChI=1S/C11H13FN2O/c1-14-6-4-8(7-10(14)15)9-3-2-5-13-11(9)12/h2-3,5,8H,4,6-7H2,1H3
InChIKeyPBTHYYSJUJPYQM-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.56
Rot. Bonds1

About 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one

4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one (PubChem CID 59327010) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one
PubChem CID59327010
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one
SMILESCN1CCC(c2cccnc2F)CC1=O
InChIInChI=1S/C11H13FN2O/c1-14-6-4-8(7-10(14)15)9-3-2-5-13-11(9)12/h2-3,5,8H,4,6-7H2,1H3
InChIKeyPBTHYYSJUJPYQM-UHFFFAOYSA-N
XLogP1.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one (CID 59327010) is 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one is CN1CCC(c2cccnc2F)CC1=O.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one?
The InChIKey is PBTHYYSJUJPYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-14-6-4-8(7-10(14)15)9-3-2-5-13-11(9)12/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one?
4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-pyridinyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 59327010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).