4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol

C23H29FN2O4S — CID 46953602

IUPAC4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol
SMILESCC1Cc2cc(C(O)CN3CCC(O)(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C23H29FN2O4S/c1-16-13-18-14-17(7-8-21(18)26(16)31(2,29)30)22(27)15-25-11-9-23(28,10-12-25)19-5-3-4-6-20(19)24/h3-8,14,16,22,27-28H,9-13,15H2,1-2H3
InChIKeyFJAINDJNBOOAJE-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.55
Rot. Bonds5

About 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol

4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol (PubChem CID 46953602) has the molecular formula C23H29FN2O4S and a molecular weight of 448.56 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol
PubChem CID46953602
Molecular FormulaC23H29FN2O4S
Molecular Weight448.56 g/mol
Exact Mass448.18
IUPAC Name4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol
SMILESCC1Cc2cc(C(O)CN3CCC(O)(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C23H29FN2O4S/c1-16-13-18-14-17(7-8-21(18)26(16)31(2,29)30)22(27)15-25-11-9-23(28,10-12-25)19-5-3-4-6-20(19)24/h3-8,14,16,22,27-28H,9-13,15H2,1-2H3
InChIKeyFJAINDJNBOOAJE-UHFFFAOYSA-N
XLogP2.55
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46953607
(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-piperidin-1-ylethanol
CID 92584707
2-(4-benzylpiperidin-1-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol
CID 46953599
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-fluorophenyl)piperidin-4-ol
CID 51503051
(1S)-1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 51593377
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanol
CID 16676851
1-[2-hydroxy-2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-4-(2-methylphenyl)piperidin-4-ol
CID 46954808
4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501596
1-[4-[(1S)-2-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-hydroxyethyl]phenyl]pyrrolidin-2-one
CID 51501316
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-4-(2-methylphenyl)piperidin-4-ol
CID 16673267
[4-(2-fluorobenzoyl)piperazin-1-yl]-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 43050318
1-[6-[(1S)-1-hydroxy-2-[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 51501144

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol (CID 46953602) is 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol is CC1Cc2cc(C(O)CN3CCC(O)(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O.
What is the InChIKey of 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol?
The InChIKey is FJAINDJNBOOAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4S/c1-16-13-18-14-17(7-8-21(18)26(16)31(2,29)30)22(27)15-25-11-9-23(28,10-12-25)19-5-3-4-6-20(19)24/h3-8,14,16,22,27-28H,9-13,15H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol has a molecular weight of 448.56 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 46953602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).