(3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one

C12H15FN2O — CID 129348532

IUPAC(3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one
SMILESC[C@@H]1CN(Cc2ccncc2F)CCC1=O
InChIInChI=1S/C12H15FN2O/c1-9-7-15(5-3-12(9)16)8-10-2-4-14-6-11(10)13/h2,4,6,9H,3,5,7-8H2,1H3/t9-/m1/s1
InChIKeyUVRFFGUXESSJKX-SECBINFHSA-N
MW222.26 g/mol
LogP1.63
Rot. Bonds2

About (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one

(3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one (PubChem CID 129348532) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one.

Molecular Properties

Compound Name(3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one
PubChem CID129348532
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one
SMILESC[C@@H]1CN(Cc2ccncc2F)CCC1=O
InChIInChI=1S/C12H15FN2O/c1-9-7-15(5-3-12(9)16)8-10-2-4-14-6-11(10)13/h2,4,6,9H,3,5,7-8H2,1H3/t9-/m1/s1
InChIKeyUVRFFGUXESSJKX-SECBINFHSA-N
XLogP1.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one?
The IUPAC name of (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one (CID 129348532) is (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one.
What is the SMILES notation for (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one?
The canonical SMILES for (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one is C[C@@H]1CN(Cc2ccncc2F)CCC1=O.
What is the InChIKey of (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one?
The InChIKey is UVRFFGUXESSJKX-SECBINFHSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-7-15(5-3-12(9)16)8-10-2-4-14-6-11(10)13/h2,4,6,9H,3,5,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one?
(3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one has a molecular weight of 222.26 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-fluoro-4-pyridinyl)methyl]-3-methylpiperidin-4-one is sourced from PubChem (CID 129348532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).