[(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol

C17H25NO4S — CID 167809818

IUPAC[(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol
SMILESO=S(=O)(C1CCOCC1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1
InChIInChI=1S/C17H25NO4S/c19-13-15-12-18(23(20,21)16-7-10-22-11-8-16)9-6-17(15)14-4-2-1-3-5-14/h1-5,15-17,19H,6-13H2/t15-,17+/m1/s1
InChIKeyREDFJVUVSKDGEU-WBVHZDCISA-N
MW339.46 g/mol
LogP1.59
Rot. Bonds4

About [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol

[(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol (PubChem CID 167809818) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol
PubChem CID167809818
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name[(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol
SMILESO=S(=O)(C1CCOCC1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1
InChIInChI=1S/C17H25NO4S/c19-13-15-12-18(23(20,21)16-7-10-22-11-8-16)9-6-17(15)14-4-2-1-3-5-14/h1-5,15-17,19H,6-13H2/t15-,17+/m1/s1
InChIKeyREDFJVUVSKDGEU-WBVHZDCISA-N
XLogP1.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol (CID 167809818) is [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol is O=S(=O)(C1CCOCC1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol?
The InChIKey is REDFJVUVSKDGEU-WBVHZDCISA-N. The full InChI is InChI=1S/C17H25NO4S/c19-13-15-12-18(23(20,21)16-7-10-22-11-8-16)9-6-17(15)14-4-2-1-3-5-14/h1-5,15-17,19H,6-13H2/t15-,17+/m1/s1.
What are the key properties of [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol?
[(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol has a molecular weight of 339.46 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol is sourced from PubChem (CID 167809818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).