(2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol

C22H26FNO2 — CID 102384545

IUPAC(2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol
SMILESO[C@H]1C[C@@H](CN2CCC(c3ccccc3)CC2)O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C22H26FNO2/c23-19-8-6-18(7-9-19)22-21(25)14-20(26-22)15-24-12-10-17(11-13-24)16-4-2-1-3-5-16/h1-9,17,20-22,25H,10-15H2/t20-,21-,22-/m0/s1
InChIKeyHSMVPYXEMOLEDG-FKBYEOEOSA-N
MW355.45 g/mol
LogP3.90
Rot. Bonds4

About (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol

(2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol (PubChem CID 102384545) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol
PubChem CID102384545
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name(2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol
SMILESO[C@H]1C[C@@H](CN2CCC(c3ccccc3)CC2)O[C@H]1c1ccc(F)cc1
InChIInChI=1S/C22H26FNO2/c23-19-8-6-18(7-9-19)22-21(25)14-20(26-22)15-24-12-10-17(11-13-24)16-4-2-1-3-5-16/h1-9,17,20-22,25H,10-15H2/t20-,21-,22-/m0/s1
InChIKeyHSMVPYXEMOLEDG-FKBYEOEOSA-N
XLogP3.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol?
The IUPAC name of (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol (CID 102384545) is (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol.
What is the SMILES notation for (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol?
The canonical SMILES for (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol is O[C@H]1C[C@@H](CN2CCC(c3ccccc3)CC2)O[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol?
The InChIKey is HSMVPYXEMOLEDG-FKBYEOEOSA-N. The full InChI is InChI=1S/C22H26FNO2/c23-19-8-6-18(7-9-19)22-21(25)14-20(26-22)15-24-12-10-17(11-13-24)16-4-2-1-3-5-16/h1-9,17,20-22,25H,10-15H2/t20-,21-,22-/m0/s1.
What are the key properties of (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol?
(2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol has a molecular weight of 355.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2-(4-fluorophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]oxolan-3-ol is sourced from PubChem (CID 102384545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).