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

C21H26FN3 — CID 22037919

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C21H26FN3/c22-18-4-1-16(2-5-18)7-11-24-12-9-20(10-13-24)25-14-8-17-3-6-19(23)15-21(17)25/h1-6,15,20H,7-14,23H2
InChIKeyDZYOGQOHRYSUQP-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.48
Rot. Bonds4

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

1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine (PubChem CID 22037919) has the molecular formula C21H26FN3 and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine
PubChem CID22037919
Molecular FormulaC21H26FN3
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine
SMILESNc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C21H26FN3/c22-18-4-1-16(2-5-18)7-11-24-12-9-20(10-13-24)25-14-8-17-3-6-19(23)15-21(17)25/h1-6,15,20H,7-14,23H2
InChIKeyDZYOGQOHRYSUQP-UHFFFAOYSA-N
XLogP3.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine (CID 22037919) is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine is Nc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine?
The InChIKey is DZYOGQOHRYSUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3/c22-18-4-1-16(2-5-18)7-11-24-12-9-20(10-13-24)25-14-8-17-3-6-19(23)15-21(17)25/h1-6,15,20H,7-14,23H2.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine?
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine has a molecular weight of 339.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 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]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 22037919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).