2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one

C16H22FNO — CID 43227547

IUPAC2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
SMILESCCC1CCCCN1C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-3-15-6-4-5-11-18(15)12(2)16(19)13-7-9-14(17)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyDNBVJTFSPAIUGF-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.66
Rot. Bonds4

About 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one

2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one (PubChem CID 43227547) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
PubChem CID43227547
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
SMILESCCC1CCCCN1C(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c1-3-15-6-4-5-11-18(15)12(2)16(19)13-7-9-14(17)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3
InChIKeyDNBVJTFSPAIUGF-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62053303
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055660
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
2-(2-ethylpiperidin-1-yl)propanoyl chloride
CID 82040582
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
CID 104689975
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 134062684

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one (CID 43227547) is 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one is CCC1CCCCN1C(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is DNBVJTFSPAIUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-15-6-4-5-11-18(15)12(2)16(19)13-7-9-14(17)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one?
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 43227547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).