1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole

C28H32FN3 — CID 22038027

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole
SMILESCC(c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2)c1ccccn1
InChIInChI=1S/C28H32FN3/c1-21(27-4-2-3-15-30-27)24-8-7-23-12-19-32(28(23)20-24)26-13-17-31(18-14-26)16-11-22-5-9-25(29)10-6-22/h2-10,15,20-21,26H,11-14,16-19H2,1H3
InChIKeyAOWYAPZXKFMILH-UHFFFAOYSA-N
MW429.58 g/mol
LogP5.44
Rot. Bonds6

About 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole

1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole (PubChem CID 22038027) has the molecular formula C28H32FN3 and a molecular weight of 429.58 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole
PubChem CID22038027
Molecular FormulaC28H32FN3
Molecular Weight429.58 g/mol
Exact Mass429.26
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole
SMILESCC(c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2)c1ccccn1
InChIInChI=1S/C28H32FN3/c1-21(27-4-2-3-15-30-27)24-8-7-23-12-19-32(28(23)20-24)26-13-17-31(18-14-26)16-11-22-5-9-25(29)10-6-22/h2-10,15,20-21,26H,11-14,16-19H2,1H3
InChIKeyAOWYAPZXKFMILH-UHFFFAOYSA-N
XLogP5.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.58
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole (CID 22038027) is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole is CC(c1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2)c1ccccn1.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole?
The InChIKey is AOWYAPZXKFMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3/c1-21(27-4-2-3-15-30-27)24-8-7-23-12-19-32(28(23)20-24)26-13-17-31(18-14-26)16-11-22-5-9-25(29)10-6-22/h2-10,15,20-21,26H,11-14,16-19H2,1H3.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole?
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole has a molecular weight of 429.58 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole is sourced from PubChem (CID 22038027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).