3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one

C15H23FN2O — CID 90038587

IUPAC3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one
SMILESCC(C)(C)N1CCC(Cc2c(F)cc[nH]c2=O)CC1
InChIInChI=1S/C15H23FN2O/c1-15(2,3)18-8-5-11(6-9-18)10-12-13(16)4-7-17-14(12)19/h4,7,11H,5-6,8-10H2,1-3H3,(H,17,19)
InChIKeyIFWMITIBDKQXEY-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.57
Rot. Bonds2

About 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one

3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one (PubChem CID 90038587) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one
PubChem CID90038587
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one
SMILESCC(C)(C)N1CCC(Cc2c(F)cc[nH]c2=O)CC1
InChIInChI=1S/C15H23FN2O/c1-15(2,3)18-8-5-11(6-9-18)10-12-13(16)4-7-17-14(12)19/h4,7,11H,5-6,8-10H2,1-3H3,(H,17,19)
InChIKeyIFWMITIBDKQXEY-UHFFFAOYSA-N
XLogP2.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one (CID 90038587) is 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one is CC(C)(C)N1CCC(Cc2c(F)cc[nH]c2=O)CC1.
What is the InChIKey of 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one?
The InChIKey is IFWMITIBDKQXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-15(2,3)18-8-5-11(6-9-18)10-12-13(16)4-7-17-14(12)19/h4,7,11H,5-6,8-10H2,1-3H3,(H,17,19).
What are the key properties of 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one?
3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one has a molecular weight of 266.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 90038587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).