[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone

C21H22FNO3 — CID 70775747

IUPAC[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C21H22FNO3/c22-17-6-4-14(5-7-17)15-2-1-3-16(12-15)20(26)23-10-8-21(9-11-23)18(24)13-19(21)25/h1-7,12,18-19,24-25H,8-11,13H2/t18-,19+
InChIKeyFHFTUJXCEPXKEX-KDURUIRLSA-N
MW355.41 g/mol
LogP2.84
Rot. Bonds2

About [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone

[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone (PubChem CID 70775747) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone.

Molecular Properties

Compound Name[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone
PubChem CID70775747
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C21H22FNO3/c22-17-6-4-14(5-7-17)15-2-1-3-16(12-15)20(26)23-10-8-21(9-11-23)18(24)13-19(21)25/h1-7,12,18-19,24-25H,8-11,13H2/t18-,19+
InChIKeyFHFTUJXCEPXKEX-KDURUIRLSA-N
XLogP2.84
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone with MolForge

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Related Compounds

[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)piperidin-3-yl]methanol
CID 16188882
1-(3-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]methyl}phenyl)ethanone
CID 16191336
1-[4-({4-(Hydroxymethyl)-4-[3-(trifluoromethyl)benzyl]piperidin-1-yl}carbonyl)phenyl]ethanone
CID 16191531
[3-(2-fluorophenyl)phenyl]-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 24791376
{3-(2-Fluorobenzyl)-1-[(3'-methyl-2-biphenylyl)carbonyl]-3-piperidinyl}methanol
CID 45187271
[2-Benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl](2-fluorophenyl)methanone
CID 91924989
1-(3-{[4-Benzyl-4-(hydroxymethyl)piperidin-1-yl]methyl}phenyl)ethanone
CID 16191416
[1-(2-Fluorobenzoyl)-3-(2-fluorobenzyl)-3-piperidinyl]methanol
CID 45176446
{3-(2-Fluorobenzyl)-1-[(2'-fluoro-2-biphenylyl)carbonyl]-3-piperidinyl}methanol
CID 45186384
1-(4-Fluorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433169
1-[(4'-Fluoro-3-biphenylyl)carbonyl]-4-(hydroxymethyl)-4-azepanol
CID 56881953
(3R*,4R*)-4-ethyl-1-[(3'-fluorobiphenyl-4-yl)carbonyl]piperidine-3,4-diol
CID 70726268

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone?
The IUPAC name of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone (CID 70775747) is [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone.
What is the SMILES notation for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone?
The canonical SMILES for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone is O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC2(CC1)[C@H](O)C[C@@H]2O.
What is the InChIKey of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone?
The InChIKey is FHFTUJXCEPXKEX-KDURUIRLSA-N. The full InChI is InChI=1S/C21H22FNO3/c22-17-6-4-14(5-7-17)15-2-1-3-16(12-15)20(26)23-10-8-21(9-11-23)18(24)13-19(21)25/h1-7,12,18-19,24-25H,8-11,13H2/t18-,19+.
What are the key properties of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone?
[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone has a molecular weight of 355.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[3-(4-fluorophenyl)phenyl]methanone is sourced from PubChem (CID 70775747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).