[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone

C23H26FNO2 — CID 70769674

IUPAC[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
SMILESCC(C)(O)CCc1cccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H26FNO2/c1-23(2,27)13-10-17-4-3-5-20(16-17)22(26)25-14-11-19(12-15-25)18-6-8-21(24)9-7-18/h3-9,11,16,27H,10,12-15H2,1-2H3
InChIKeyWOKDAIJGBHEZJE-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.46
Rot. Bonds5

About [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone

[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone (PubChem CID 70769674) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
PubChem CID70769674
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
SMILESCC(C)(O)CCc1cccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C23H26FNO2/c1-23(2,27)13-10-17-4-3-5-20(16-17)22(26)25-14-11-19(12-15-25)18-6-8-21(24)9-7-18/h3-9,11,16,27H,10,12-15H2,1-2H3
InChIKeyWOKDAIJGBHEZJE-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70734670
[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38168300
7-[3-(3-hydroxy-3-methylbutyl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70757505
[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70783319
N,N-diethyl-2-fluoro-5-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 86911291
(7,10-dimethyl-3,7,10-triazatricyclo[3.3.3.01,5]undecan-3-yl)-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70766738
[(3S,4S)-4-(dimethylamino)-3-hydroxypiperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70743047
cyclopropyl-[4-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 70726280
2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
CID 22399096
[3-(3-hydroxy-3-methylbutyl)phenyl]-[(2R)-2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 95867561
[3-(3-hydroxy-3-methylbutyl)phenyl]-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 70727381
[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 133127432

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone (CID 70769674) is [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone is CC(C)(O)CCc1cccc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone?
The InChIKey is WOKDAIJGBHEZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-23(2,27)13-10-17-4-3-5-20(16-17)22(26)25-14-11-19(12-15-25)18-6-8-21(24)9-7-18/h3-9,11,16,27H,10,12-15H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone?
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone has a molecular weight of 367.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone is sourced from PubChem (CID 70769674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).