3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one

C16H22FNO — CID 62643546

IUPAC3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
SMILESCCC1CCN(CCC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO/c1-2-13-6-9-18(10-7-13)11-8-16(19)14-4-3-5-15(17)12-14/h3-5,12-13H,2,6-11H2,1H3
InChIKeyMKHCBIXBPSGUIA-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.52
Rot. Bonds5

About 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one

3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one (PubChem CID 62643546) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
PubChem CID62643546
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
SMILESCCC1CCN(CCC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H22FNO/c1-2-13-6-9-18(10-7-13)11-8-16(19)14-4-3-5-15(17)12-14/h3-5,12-13H,2,6-11H2,1H3
InChIKeyMKHCBIXBPSGUIA-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 63972803
3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 79183544
3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 62619215
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 62931132
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one (CID 62643546) is 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one is CCC1CCN(CCC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one?
The InChIKey is MKHCBIXBPSGUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-13-6-9-18(10-7-13)11-8-16(19)14-4-3-5-15(17)12-14/h3-5,12-13H,2,6-11H2,1H3.
What are the key properties of 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one?
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 62643546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).