1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol

C17H24F2N2O — CID 110898547

IUPAC1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
SMILESOC(CN1CCC(N2CCCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C17H24F2N2O/c18-13-3-4-15(16(19)11-13)17(22)12-20-9-5-14(6-10-20)21-7-1-2-8-21/h3-4,11,14,17,22H,1-2,5-10,12H2
InChIKeyNUCPDIIUQOGMCZ-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.56
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol

1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol (PubChem CID 110898547) has the molecular formula C17H24F2N2O and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
PubChem CID110898547
Molecular FormulaC17H24F2N2O
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
SMILESOC(CN1CCC(N2CCCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C17H24F2N2O/c18-13-3-4-15(16(19)11-13)17(22)12-20-9-5-14(6-10-20)21-7-1-2-8-21/h3-4,11,14,17,22H,1-2,5-10,12H2
InChIKeyNUCPDIIUQOGMCZ-UHFFFAOYSA-N
XLogP2.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492
1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
CID 111565154
(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
CID 166370843
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
methyl 2-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]acetate
CID 111916316
(1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95142745
1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol
CID 86773453
1-(2-fluorophenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898564
1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol
CID 111118057
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
CID 110898680
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 56815008

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol (CID 110898547) is 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol is OC(CN1CCC(N2CCCC2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol?
The InChIKey is NUCPDIIUQOGMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O/c18-13-3-4-15(16(19)11-13)17(22)12-20-9-5-14(6-10-20)21-7-1-2-8-21/h3-4,11,14,17,22H,1-2,5-10,12H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol?
1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol has a molecular weight of 310.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol is sourced from PubChem (CID 110898547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).