[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone

C23H28FNO2 — CID 138473789

IUPAC[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCC(C)(O)Cc1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc1F
InChIInChI=1S/C23H28FNO2/c1-22(2,27)16-18-10-9-17(15-20(18)24)21(26)25-13-11-23(3,12-14-25)19-7-5-4-6-8-19/h4-10,15,27H,11-14,16H2,1-3H3
InChIKeyMNYCHOFHRAJNEV-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.33
Rot. Bonds4

About [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone

[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone (PubChem CID 138473789) has the molecular formula C23H28FNO2 and a molecular weight of 369.48 g/mol. Its IUPAC name is [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone
PubChem CID138473789
Molecular FormulaC23H28FNO2
Molecular Weight369.48 g/mol
Exact Mass369.21
IUPAC Name[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone
SMILESCC(C)(O)Cc1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc1F
InChIInChI=1S/C23H28FNO2/c1-22(2,27)16-18-10-9-17(15-20(18)24)21(26)25-13-11-23(3,12-14-25)19-7-5-4-6-8-19/h4-10,15,27H,11-14,16H2,1-3H3
InChIKeyMNYCHOFHRAJNEV-UHFFFAOYSA-N
XLogP4.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
CID 138473868
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
3-(4-methyl-4-phenylpiperidine-1-carbonyl)-5-nitrobenzoic acid
CID 120549983
2-methylbutan-2-yl 4-methyl-4-phenylpiperidine-1-carboxylate
CID 174192661
(E)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)but-2-en-1-one
CID 174192675
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 11717371
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-3-methyl-3-phenylbutan-1-one
CID 110346847
[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-[(1R,6S)-6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 153321281
1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
2-[2-(4-methyl-4-phenylpiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 120549987

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone (CID 138473789) is [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone is CC(C)(O)Cc1ccc(C(=O)N2CCC(C)(c3ccccc3)CC2)cc1F.
What is the InChIKey of [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone?
The InChIKey is MNYCHOFHRAJNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO2/c1-22(2,27)16-18-10-9-17(15-20(18)24)21(26)25-13-11-23(3,12-14-25)19-7-5-4-6-8-19/h4-10,15,27H,11-14,16H2,1-3H3.
What are the key properties of [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone?
[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone has a molecular weight of 369.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(4-methyl-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 138473789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).