[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone

C21H24FNO2 — CID 142039578

IUPAC[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FNO2/c1-15-19(3-2-4-20(15)24)21(25)17-10-13-23(14-11-17)12-9-16-5-7-18(22)8-6-16/h2-8,17,24H,9-14H2,1H3
InChIKeyCYMYHJLYNWGAKP-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.98
Rot. Bonds5

About [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone

[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 142039578) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
PubChem CID142039578
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FNO2/c1-15-19(3-2-4-20(15)24)21(25)17-10-13-23(14-11-17)12-9-16-5-7-18(22)8-6-16/h2-8,17,24H,9-14H2,1H3
InChIKeyCYMYHJLYNWGAKP-UHFFFAOYSA-N
XLogP3.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-7-yl-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
CID 70834721
[3-(2-(18F)fluoroethoxy)-2-methoxyphenyl]-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanone
CID 42629841
[3-[1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonyl]-2-methoxyphenoxy] hydrogen sulfite
CID 21305587
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethyl]-6-hydroxybenzaldehyde
CID 59915467
2-(4-fluorophenyl)-1-[4-(3-methoxy-2-methylbenzoyl)piperidin-1-yl]ethanone
CID 142039589
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14551556
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
[3-(2-fluoroethoxy)-2-methoxyphenyl]-[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methanone
CID 44582707
ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate
CID 22668702
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110290644

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone (CID 142039578) is [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is CYMYHJLYNWGAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-15-19(3-2-4-20(15)24)21(25)17-10-13-23(14-11-17)12-9-16-5-7-18(22)8-6-16/h2-8,17,24H,9-14H2,1H3.
What are the key properties of [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone?
[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 341.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 142039578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).