2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol

C17H21FN2O — CID 57177916

IUPAC2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol
SMILESOCC(c1ccc(F)cc1)c1c[nH]c(N2CCCCC2)c1
InChIInChI=1S/C17H21FN2O/c18-15-6-4-13(5-7-15)16(12-21)14-10-17(19-11-14)20-8-2-1-3-9-20/h4-7,10-11,16,19,21H,1-3,8-9,12H2
InChIKeyGWJITLWNIHOLEH-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.27
Rot. Bonds4

About 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol

2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol (PubChem CID 57177916) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol
PubChem CID57177916
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol
SMILESOCC(c1ccc(F)cc1)c1c[nH]c(N2CCCCC2)c1
InChIInChI=1S/C17H21FN2O/c18-15-6-4-13(5-7-15)16(12-21)14-10-17(19-11-14)20-8-2-1-3-9-20/h4-7,10-11,16,19,21H,1-3,8-9,12H2
InChIKeyGWJITLWNIHOLEH-UHFFFAOYSA-N
XLogP3.27
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-1-yl-1H-pyridine-4-thione
CID 69225280
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
4-[1-(4-fluorophenyl)-3-piperidin-1-ylpropyl]-3-(hydroxymethyl)benzonitrile
CID 142243331
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol
CID 77130261
2-amino-3-(4-fluorophenyl)-4-hydroxy-1-pyrrolidin-1-ylbutan-1-one
CID 163525118
2-(2,4-difluorophenyl)-2-piperidin-1-ylethanol
CID 54775718
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
1-fluoro-4-[2-fluoro-1-(4-fluorophenyl)ethyl]benzene
CID 170783572
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol?
The IUPAC name of 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol (CID 57177916) is 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol is OCC(c1ccc(F)cc1)c1c[nH]c(N2CCCCC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol?
The InChIKey is GWJITLWNIHOLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c18-15-6-4-13(5-7-15)16(12-21)14-10-17(19-11-14)20-8-2-1-3-9-20/h4-7,10-11,16,19,21H,1-3,8-9,12H2.
What are the key properties of 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol?
2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol has a molecular weight of 288.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(5-piperidin-1-yl-1H-pyrrol-3-yl)ethanol is sourced from PubChem (CID 57177916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).