2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone

C19H20FNO2 — CID 16674827

IUPAC2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C19H20FNO2/c20-16-8-6-14(7-9-16)12-19(23)21-11-10-17(18(22)13-21)15-4-2-1-3-5-15/h1-9,17-18,22H,10-13H2/t17-,18+/m0/s1
InChIKeyFDURADLIMWNEIX-ZWKOTPCHSA-N
MW313.37 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone (PubChem CID 16674827) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone
PubChem CID16674827
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC[C@@H](c2ccccc2)[C@H](O)C1
InChIInChI=1S/C19H20FNO2/c20-16-8-6-14(7-9-16)12-19(23)21-11-10-17(18(22)13-21)15-4-2-1-3-5-15/h1-9,17-18,22H,10-13H2/t17-,18+/m0/s1
InChIKeyFDURADLIMWNEIX-ZWKOTPCHSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone (CID 16674827) is 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2ccccc2)[C@H](O)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone?
The InChIKey is FDURADLIMWNEIX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-16-8-6-14(7-9-16)12-19(23)21-11-10-17(18(22)13-21)15-4-2-1-3-5-15/h1-9,17-18,22H,10-13H2/t17-,18+/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone has a molecular weight of 313.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethanone is sourced from PubChem (CID 16674827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).