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

C21H25ClFN3 — CID 22038099

IUPAC5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine
SMILESNc1cc2c(cc1Cl)CCN2C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25ClFN3/c22-19-13-16-6-12-26(21(16)14-20(19)24)18-7-10-25(11-8-18)9-5-15-1-3-17(23)4-2-15/h1-4,13-14,18H,5-12,24H2
InChIKeyQIEAJHMWMOUXPZ-UHFFFAOYSA-N
MW373.90 g/mol
LogP4.13
Rot. Bonds4

About 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine

5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine (PubChem CID 22038099) has the molecular formula C21H25ClFN3 and a molecular weight of 373.90 g/mol. Its IUPAC name is 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine
PubChem CID22038099
Molecular FormulaC21H25ClFN3
Molecular Weight373.90 g/mol
Exact Mass373.17
IUPAC Name5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine
SMILESNc1cc2c(cc1Cl)CCN2C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25ClFN3/c22-19-13-16-6-12-26(21(16)14-20(19)24)18-7-10-25(11-8-18)9-5-15-1-3-17(23)4-2-15/h1-4,13-14,18H,5-12,24H2
InChIKeyQIEAJHMWMOUXPZ-UHFFFAOYSA-N
XLogP4.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 54.13
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 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine?
The IUPAC name of 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine (CID 22038099) is 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine is Nc1cc2c(cc1Cl)CCN2C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine?
The InChIKey is QIEAJHMWMOUXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3/c22-19-13-16-6-12-26(21(16)14-20(19)24)18-7-10-25(11-8-18)9-5-15-1-3-17(23)4-2-15/h1-4,13-14,18H,5-12,24H2.
What are the key properties of 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine?
5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine has a molecular weight of 373.90 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 22038099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).