1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol

C16H18FN3O — CID 154769172

IUPAC1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol
SMILESOC(CN1CCCC1c1ncccn1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c17-13-6-4-12(5-7-13)15(21)11-20-10-1-3-14(20)16-18-8-2-9-19-16/h2,4-9,14-15,21H,1,3,10-11H2
InChIKeyXAAUJUWSBZSCPC-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.49
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol

1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol (PubChem CID 154769172) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol
PubChem CID154769172
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol
SMILESOC(CN1CCCC1c1ncccn1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c17-13-6-4-12(5-7-13)15(21)11-20-10-1-3-14(20)16-18-8-2-9-19-16/h2,4-9,14-15,21H,1,3,10-11H2
InChIKeyXAAUJUWSBZSCPC-UHFFFAOYSA-N
XLogP2.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
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3-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]propan-1-ol
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1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
CID 62266444
1-[(2R)-2-[(2S)-1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95337310
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CID 124725003
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95308653
(1S)-1-(3-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 98757362
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
1-(2-fluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanol
CID 146139052

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol (CID 154769172) is 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol is OC(CN1CCCC1c1ncccn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol?
The InChIKey is XAAUJUWSBZSCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-13-6-4-12(5-7-13)15(21)11-20-10-1-3-14(20)16-18-8-2-9-19-16/h2,4-9,14-15,21H,1,3,10-11H2.
What are the key properties of 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol?
1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol has a molecular weight of 287.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 154769172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).