1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

C16H22FNO2 — CID 62469380

IUPAC1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCCC1CCCO
InChIInChI=1S/C16H22FNO2/c1-12(16(20)13-6-8-14(17)9-7-13)18-10-2-4-15(18)5-3-11-19/h6-9,12,15,19H,2-5,10-11H2,1H3
InChIKeyLZPYGQVXAAJSQX-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.63
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one

1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 62469380) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
PubChem CID62469380
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)N1CCCC1CCCO
InChIInChI=1S/C16H22FNO2/c1-12(16(20)13-6-8-14(17)9-7-13)18-10-2-4-15(18)5-3-11-19/h6-9,12,15,19H,2-5,10-11H2,1H3
InChIKeyLZPYGQVXAAJSQX-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62053303
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62037342
2-(2-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 43227547
2-(2-ethylazepan-1-yl)-1-(4-fluorophenyl)propan-1-one
CID 104690703
1-(2,4-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62467958
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 62469251
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-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 62469409
N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467277
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62612828

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one (CID 62469380) is 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is CC(C(=O)c1ccc(F)cc1)N1CCCC1CCCO.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is LZPYGQVXAAJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(16(20)13-6-8-14(17)9-7-13)18-10-2-4-15(18)5-3-11-19/h6-9,12,15,19H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one?
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 279.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 62469380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).