(3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol

C21H25FN2O2 — CID 51590100

IUPAC(3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESO[C@@]1(c2ccccc2)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1
InChIInChI=1S/C21H25FN2O2/c22-19-14-17(6-7-20(19)24-10-12-26-13-11-24)15-23-9-8-21(25,16-23)18-4-2-1-3-5-18/h1-7,14,25H,8-13,15-16H2/t21-/m0/s1
InChIKeyJNPUGNYWFWNLIW-NRFANRHFSA-N
MW356.44 g/mol
LogP2.76
Rot. Bonds4

About (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol

(3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 51590100) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
PubChem CID51590100
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESO[C@@]1(c2ccccc2)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1
InChIInChI=1S/C21H25FN2O2/c22-19-14-17(6-7-20(19)24-10-12-26-13-11-24)15-23-9-8-21(25,16-23)18-4-2-1-3-5-18/h1-7,14,25H,8-13,15-16H2/t21-/m0/s1
InChIKeyJNPUGNYWFWNLIW-NRFANRHFSA-N
XLogP2.76
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol (CID 51590100) is (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol is O[C@@]1(c2ccccc2)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1.
What is the InChIKey of (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is JNPUGNYWFWNLIW-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-19-14-17(6-7-20(19)24-10-12-26-13-11-24)15-23-9-8-21(25,16-23)18-4-2-1-3-5-18/h1-7,14,25H,8-13,15-16H2/t21-/m0/s1.
What are the key properties of (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol?
(3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 356.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 51590100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).