1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol

C17H25FN2O — CID 110898564

IUPAC1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
SMILESOC(CN1CCCC(N2CCCC2)C1)c1ccccc1F
InChIInChI=1S/C17H25FN2O/c18-16-8-2-1-7-15(16)17(21)13-19-9-5-6-14(12-19)20-10-3-4-11-20/h1-2,7-8,14,17,21H,3-6,9-13H2
InChIKeyYKGQJSSWMWESLB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.42
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol

1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol (PubChem CID 110898564) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
PubChem CID110898564
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
SMILESOC(CN1CCCC(N2CCCC2)C1)c1ccccc1F
InChIInChI=1S/C17H25FN2O/c18-16-8-2-1-7-15(16)17(21)13-19-9-5-6-14(12-19)20-10-3-4-11-20/h1-2,7-8,14,17,21H,3-6,9-13H2
InChIKeyYKGQJSSWMWESLB-UHFFFAOYSA-N
XLogP2.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
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CID 63165717
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CID 128976142
N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
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CID 110908424
1-(2-fluorophenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 113246642
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
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1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
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2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol (CID 110898564) is 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol is OC(CN1CCCC(N2CCCC2)C1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol?
The InChIKey is YKGQJSSWMWESLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-16-8-2-1-7-15(16)17(21)13-19-9-5-6-14(12-19)20-10-3-4-11-20/h1-2,7-8,14,17,21H,3-6,9-13H2.
What are the key properties of 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol?
1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol has a molecular weight of 292.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol is sourced from PubChem (CID 110898564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).