(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone

C19H21FN2O2 — CID 136539060

IUPAC(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3ccncc3F)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-14-3-2-4-15(11-14)12-19(24)6-9-22(10-7-19)18(23)16-5-8-21-13-17(16)20/h2-5,8,11,13,24H,6-7,9-10,12H2,1H3
InChIKeyZJUDMEUPXNHWGE-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.74
Rot. Bonds3

About (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone

(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone (PubChem CID 136539060) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
PubChem CID136539060
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(CC2(O)CCN(C(=O)c3ccncc3F)CC2)c1
InChIInChI=1S/C19H21FN2O2/c1-14-3-2-4-15(11-14)12-19(24)6-9-22(10-7-19)18(23)16-5-8-21-13-17(16)20/h2-5,8,11,13,24H,6-7,9-10,12H2,1H3
InChIKeyZJUDMEUPXNHWGE-UHFFFAOYSA-N
XLogP2.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone
CID 167819148
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 136539054
2-(furan-3-yl)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethanone
CID 136539065
(2,3-dimethylquinoxalin-6-yl)-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 139007249
3-ethyl-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 64949282
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170036
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(3R)-1-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 174969427
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-[(2S,3R)-2-methyloxan-3-yl]methanone
CID 129480128
[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129480129
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
(4-benzyl-4-hydroxypiperidin-1-yl)-(5-fluoro-2-pyrimidin-4-ylphenyl)methanone
CID 89491801

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone (CID 136539060) is (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone is Cc1cccc(CC2(O)CCN(C(=O)c3ccncc3F)CC2)c1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is ZJUDMEUPXNHWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14-3-2-4-15(11-14)12-19(24)6-9-22(10-7-19)18(23)16-5-8-21-13-17(16)20/h2-5,8,11,13,24H,6-7,9-10,12H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone?
(3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-[4-hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 136539060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).