[(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol

C15H22FNO5S — CID 125139502

IUPAC[(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol
SMILESCOCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C15H22FNO5S/c1-21-6-7-22-13-8-12(11-18)9-17(10-13)23(19,20)15-5-3-2-4-14(15)16/h2-5,12-13,18H,6-11H2,1H3/t12-,13+/m1/s1
InChIKeyWHEXVADKOGFMLD-OLZOCXBDSA-N
MW347.41 g/mol
LogP0.86
Rot. Bonds7

About [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol

[(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol (PubChem CID 125139502) has the molecular formula C15H22FNO5S and a molecular weight of 347.41 g/mol. Its IUPAC name is [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol
PubChem CID125139502
Molecular FormulaC15H22FNO5S
Molecular Weight347.41 g/mol
Exact Mass347.12
IUPAC Name[(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol
SMILESCOCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C15H22FNO5S/c1-21-6-7-22-13-8-12(11-18)9-17(10-13)23(19,20)15-5-3-2-4-14(15)16/h2-5,12-13,18H,6-11H2,1H3/t12-,13+/m1/s1
InChIKeyWHEXVADKOGFMLD-OLZOCXBDSA-N
XLogP0.86
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol?
The IUPAC name of [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol (CID 125139502) is [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol?
The canonical SMILES for [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol is COCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol?
The InChIKey is WHEXVADKOGFMLD-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22FNO5S/c1-21-6-7-22-13-8-12(11-18)9-17(10-13)23(19,20)15-5-3-2-4-14(15)16/h2-5,12-13,18H,6-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol?
[(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol has a molecular weight of 347.41 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-(2-fluorophenyl)sulfonyl-5-(2-methoxyethoxy)piperidin-3-yl]methanol is sourced from PubChem (CID 125139502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).