[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C23H27FN2O3 — CID 24791376

IUPAC[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccccc2F)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C23H27FN2O3/c24-20-7-2-1-6-19(20)16-4-3-5-17(14-16)23(29)26-13-10-21(22(28)15-26)25-11-8-18(27)9-12-25/h1-7,14,18,21-22,27-28H,8-13,15H2/t21-,22-/m1/s1
InChIKeyJACJKHHCUKDYDL-FGZHOGPDSA-N
MW398.48 g/mol
LogP2.52
Rot. Bonds3

About [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 24791376) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID24791376
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2ccccc2F)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1
InChIInChI=1S/C23H27FN2O3/c24-20-7-2-1-6-19(20)16-4-3-5-17(14-16)23(29)26-13-10-21(22(28)15-26)25-11-8-18(27)9-12-25/h1-7,14,18,21-22,27-28H,8-13,15H2/t21-,22-/m1/s1
InChIKeyJACJKHHCUKDYDL-FGZHOGPDSA-N
XLogP2.52
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 24791376) is [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is O=C(c1cccc(-c2ccccc2F)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1.
What is the InChIKey of [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is JACJKHHCUKDYDL-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H27FN2O3/c24-20-7-2-1-6-19(20)16-4-3-5-17(14-16)23(29)26-13-10-21(22(28)15-26)25-11-8-18(27)9-12-25/h1-7,14,18,21-22,27-28H,8-13,15H2/t21-,22-/m1/s1.
What are the key properties of [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 398.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 24791376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).