(4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone

C19H26FNO3 — CID 72850547

IUPAC(4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)ccc1F
InChIInChI=1S/C19H26FNO3/c1-13-11-15(3-4-17(13)20)18(22)21-8-7-19(23,14(2)12-21)16-5-9-24-10-6-16/h3-4,11,14,16,23H,5-10,12H2,1-2H3/t14-,19+/m1/s1
InChIKeyZTNJBQANFYURKK-KUHUBIRLSA-N
MW335.42 g/mol
LogP2.77
Rot. Bonds2

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

(4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone (PubChem CID 72850547) has the molecular formula C19H26FNO3 and a molecular weight of 335.42 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
PubChem CID72850547
Molecular FormulaC19H26FNO3
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name(4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)ccc1F
InChIInChI=1S/C19H26FNO3/c1-13-11-15(3-4-17(13)20)18(22)21-8-7-19(23,14(2)12-21)16-5-9-24-10-6-16/h3-4,11,14,16,23H,5-10,12H2,1-2H3/t14-,19+/m1/s1
InChIKeyZTNJBQANFYURKK-KUHUBIRLSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone (CID 72850547) is (4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
The InChIKey is ZTNJBQANFYURKK-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H26FNO3/c1-13-11-15(3-4-17(13)20)18(22)21-8-7-19(23,14(2)12-21)16-5-9-24-10-6-16/h3-4,11,14,16,23H,5-10,12H2,1-2H3/t14-,19+/m1/s1.
What are the key properties of (4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone?
(4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone has a molecular weight of 335.42 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72850547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).