[3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone

C22H26FNO3 — CID 133111598

IUPAC[3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
SMILESCOCC[C@@]1(O)CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H]1C
InChIInChI=1S/C22H26FNO3/c1-16-15-24(12-10-22(16,26)11-13-27-2)21(25)19-5-3-4-18(14-19)17-6-8-20(23)9-7-17/h3-9,14,16,26H,10-13,15H2,1-2H3/t16-,22-/m0/s1
InChIKeyNEEVWLQROGJPHE-AOMKIAJQSA-N
MW371.45 g/mol
LogP3.74
Rot. Bonds5

About [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone

[3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone (PubChem CID 133111598) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
PubChem CID133111598
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name[3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
SMILESCOCC[C@@]1(O)CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H]1C
InChIInChI=1S/C22H26FNO3/c1-16-15-24(12-10-22(16,26)11-13-27-2)21(25)19-5-3-4-18(14-19)17-6-8-20(23)9-7-17/h3-9,14,16,26H,10-13,15H2,1-2H3/t16-,22-/m0/s1
InChIKeyNEEVWLQROGJPHE-AOMKIAJQSA-N
XLogP3.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 133127608
[3-(4-fluorophenyl)phenyl]-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 95707324
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-[3-(3-methoxyphenyl)phenyl]methanone
CID 70731735
[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[2-[(4-methylphenyl)methyl]phenyl]methanone
CID 70762380
(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 72913982
N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 156605068
[3-(3-fluorophenyl)phenyl]-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]methanone
CID 70712511
[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72859934
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-[3-(3-fluorophenyl)phenyl]methanone
CID 72850012
(4-aminoazepan-1-yl)-[3-(4-fluorophenyl)phenyl]methanone
CID 56906994
4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile
CID 126432915
[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[3-(4-fluorophenyl)phenyl]methanone
CID 118779614

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone (CID 133111598) is [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone is COCC[C@@]1(O)CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H]1C.
What is the InChIKey of [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone?
The InChIKey is NEEVWLQROGJPHE-AOMKIAJQSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-16-15-24(12-10-22(16,26)11-13-27-2)21(25)19-5-3-4-18(14-19)17-6-8-20(23)9-7-17/h3-9,14,16,26H,10-13,15H2,1-2H3/t16-,22-/m0/s1.
What are the key properties of [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone?
[3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone has a molecular weight of 371.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 133111598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).