1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one

C15H21FN2O2 — CID 114681875

IUPAC1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(CN1CCC(O)C(C)C1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2O2/c1-10-8-18(6-5-14(10)19)9-11(2)15(20)13-4-3-12(16)7-17-13/h3-4,7,10-11,14,19H,5-6,8-9H2,1-2H3
InChIKeyQOKXUAWTTFAQGL-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.74
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one

1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 114681875) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID114681875
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC(CN1CCC(O)C(C)C1)C(=O)c1ccc(F)cn1
InChIInChI=1S/C15H21FN2O2/c1-10-8-18(6-5-14(10)19)9-11(2)15(20)13-4-3-12(16)7-17-13/h3-4,7,10-11,14,19H,5-6,8-9H2,1-2H3
InChIKeyQOKXUAWTTFAQGL-UHFFFAOYSA-N
XLogP1.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 104960594
1-(5-fluoro-2-pyridinyl)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 115941070
1-(5-fluoro-2-pyridinyl)-3-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 115941097
1-(5-fluoro-2-pyridinyl)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 107395046
3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropanethioamide
CID 114678688
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
3-[cyclopropyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586221
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586223
1-(5-fluoro-2-pyridinyl)-3-[(3-hydroxycyclobutyl)methyl-methylamino]-2-methylpropan-1-one
CID 115941085
3-[cyclopropyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 112586193
1-(5-fluoro-2-pyridinyl)-2,4,4-trimethylpentane-1,3-dione
CID 112583432
(3-bromo-4-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 102961974

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one (CID 114681875) is 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one is CC(CN1CCC(O)C(C)C1)C(=O)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is QOKXUAWTTFAQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10-8-18(6-5-14(10)19)9-11(2)15(20)13-4-3-12(16)7-17-13/h3-4,7,10-11,14,19H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one?
1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 114681875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).