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

C23H29FN2O — CID 22037899

IUPAC1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
SMILESCC(O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C23H29FN2O/c1-17(27)20-5-4-19-9-15-26(23(19)16-20)22-10-13-25(14-11-22)12-8-18-2-6-21(24)7-3-18/h2-7,16-17,22,27H,8-15H2,1H3
InChIKeyRXGUWQQOCHKTQI-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.95
Rot. Bonds5

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

1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol (PubChem CID 22037899) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
PubChem CID22037899
Molecular FormulaC23H29FN2O
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
SMILESCC(O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C23H29FN2O/c1-17(27)20-5-4-19-9-15-26(23(19)16-20)22-10-13-25(14-11-22)12-8-18-2-6-21(24)7-3-18/h2-7,16-17,22,27H,8-15H2,1H3
InChIKeyRXGUWQQOCHKTQI-UHFFFAOYSA-N
XLogP3.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol?
The IUPAC name of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol (CID 22037899) is 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol.
What is the SMILES notation for 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol?
The canonical SMILES for 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol is CC(O)c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol?
The InChIKey is RXGUWQQOCHKTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O/c1-17(27)20-5-4-19-9-15-26(23(19)16-20)22-10-13-25(14-11-22)12-8-18-2-6-21(24)7-3-18/h2-7,16-17,22,27H,8-15H2,1H3.
What are the key properties of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol?
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol has a molecular weight of 368.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol is sourced from PubChem (CID 22037899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).