3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one

C21H24FNO2 — CID 58075662

IUPAC3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one
SMILESCCC1CN(Cc2ccc(OC)cc2)CC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C21H24FNO2/c1-3-16-13-23(12-15-4-10-19(25-2)11-5-15)14-20(21(16)24)17-6-8-18(22)9-7-17/h4-11,16,20H,3,12-14H2,1-2H3
InChIKeyXUNVVCGIPGKPFL-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.03
Rot. Bonds5

About 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one

3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one (PubChem CID 58075662) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one
PubChem CID58075662
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one
SMILESCCC1CN(Cc2ccc(OC)cc2)CC(c2ccc(F)cc2)C1=O
InChIInChI=1S/C21H24FNO2/c1-3-16-13-23(12-15-4-10-19(25-2)11-5-15)14-20(21(16)24)17-6-8-18(22)9-7-17/h4-11,16,20H,3,12-14H2,1-2H3
InChIKeyXUNVVCGIPGKPFL-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
CID 367137
AC-90179
CID 9799308
[4-(2-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 2802386
1-(3-Fluoro-4-methoxyphenyl)-3-(morpholin-4-yl)-2-phenylpropan-1-one--hydrogen chloride (1/1)
CID 3066411
Propiophenone, 3-(4-benzylpiperidino)-4'-methoxy-, hydrochloride
CID 24843854
(+/-)-threo-N-(4-Methoxybenzyl)methylphenidate
CID 52942312
3-Benzhydryl-1-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperidin-4-one;hydrochloride
CID 56676453
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
Cambridge id 7035693
CID 1075488
4-Benzyl-1-(4-ethoxybenzyl)piperidine
CID 1377120
Mesityl[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 2741901
(4-Fluoro-phenyl)-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 24746982

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one?
The IUPAC name of 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one (CID 58075662) is 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one.
What is the SMILES notation for 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one?
The canonical SMILES for 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one is CCC1CN(Cc2ccc(OC)cc2)CC(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one?
The InChIKey is XUNVVCGIPGKPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c1-3-16-13-23(12-15-4-10-19(25-2)11-5-15)14-20(21(16)24)17-6-8-18(22)9-7-17/h4-11,16,20H,3,12-14H2,1-2H3.
What are the key properties of 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one?
3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one has a molecular weight of 341.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-4-one is sourced from PubChem (CID 58075662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).