1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol

C18H25F2NO2 — CID 166315061

IUPAC1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCCCC1C1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C18H25F2NO2/c19-14-4-3-5-15(20)18(14)17(22)12-21-9-2-1-6-16(21)13-7-10-23-11-8-13/h3-5,13,16-17,22H,1-2,6-12H2
InChIKeyRGIOUSPVRCLLLS-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.28
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol

1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol (PubChem CID 166315061) has the molecular formula C18H25F2NO2 and a molecular weight of 325.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol
PubChem CID166315061
Molecular FormulaC18H25F2NO2
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC Name1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCCCC1C1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C18H25F2NO2/c19-14-4-3-5-15(20)18(14)17(22)12-21-9-2-1-6-16(21)13-7-10-23-11-8-13/h3-5,13,16-17,22H,1-2,6-12H2
InChIKeyRGIOUSPVRCLLLS-UHFFFAOYSA-N
XLogP3.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 110898388
1-(2,6-difluorophenyl)-2-(oxan-4-ylmethylamino)ethanol
CID 63711662
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-aminophenyl)ethanol
CID 102725506
1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986582
1-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 110897208
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997199
1-(2,6-difluorophenyl)-2-[2-(2-fluorophenyl)morpholin-4-yl]ethanol
CID 110928528
1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
(1S)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 98786253
(1R)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 94380485
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol (CID 166315061) is 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol is OC(CN1CCCCC1C1CCOCC1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol?
The InChIKey is RGIOUSPVRCLLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO2/c19-14-4-3-5-15(20)18(14)17(22)12-21-9-2-1-6-16(21)13-7-10-23-11-8-13/h3-5,13,16-17,22H,1-2,6-12H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol?
1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol has a molecular weight of 325.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[2-(oxan-4-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 166315061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).