2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C22H25FN2O2 — CID 3228836

IUPAC2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CN1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O2/c1-16-14-17-4-2-3-5-20(17)25(16)21(26)15-24-12-10-22(27,11-13-24)18-6-8-19(23)9-7-18/h2-9,16,27H,10-15H2,1H3
InChIKeyXVBHNAHRZVYGGO-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.09
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 3228836) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID3228836
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CN1CCC(O)(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O2/c1-16-14-17-4-2-3-5-20(17)25(16)21(26)15-24-12-10-22(27,11-13-24)18-6-8-19(23)9-7-18/h2-9,16,27H,10-15H2,1H3
InChIKeyXVBHNAHRZVYGGO-UHFFFAOYSA-N
XLogP3.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 3228836) is 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)CN1CCC(O)(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is XVBHNAHRZVYGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16-14-17-4-2-3-5-20(17)25(16)21(26)15-24-12-10-22(27,11-13-24)18-6-8-19(23)9-7-18/h2-9,16,27H,10-15H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 368.45 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 3228836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).