[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol

C22H27FN2O — CID 22038297

IUPAC[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol
SMILESOCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C22H27FN2O/c23-21-4-2-1-3-18(21)7-11-24-12-9-20(10-13-24)25-14-8-19-6-5-17(16-26)15-22(19)25/h1-6,15,20,26H,7-14,16H2
InChIKeyMWKUGBCAWWBJCD-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.39
Rot. Bonds5

About [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol

[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol (PubChem CID 22038297) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol.

Molecular Properties

Compound Name[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol
PubChem CID22038297
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol
SMILESOCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2
InChIInChI=1S/C22H27FN2O/c23-21-4-2-1-3-18(21)7-11-24-12-9-20(10-13-24)25-14-8-19-6-5-17(16-26)15-22(19)25/h1-6,15,20,26H,7-14,16H2
InChIKeyMWKUGBCAWWBJCD-UHFFFAOYSA-N
XLogP3.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol?
The IUPAC name of [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol (CID 22038297) is [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol.
What is the SMILES notation for [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol?
The canonical SMILES for [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol is OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2.
What is the InChIKey of [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol?
The InChIKey is MWKUGBCAWWBJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-21-4-2-1-3-18(21)7-11-24-12-9-20(10-13-24)25-14-8-19-6-5-17(16-26)15-22(19)25/h1-6,15,20,26H,7-14,16H2.
What are the key properties of [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol?
[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol has a molecular weight of 354.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol is sourced from PubChem (CID 22038297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).