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

C22H28FN3 — CID 18427431

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine
SMILESCC1Cc2ccc(N)cc2N1C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3/c1-16-14-18-4-7-20(24)15-22(18)26(16)21-9-12-25(13-10-21)11-8-17-2-5-19(23)6-3-17/h2-7,15-16,21H,8-14,24H2,1H3
InChIKeyBGPRSXMEJULJHY-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.87
Rot. Bonds4

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

1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine (PubChem CID 18427431) has the molecular formula C22H28FN3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine
PubChem CID18427431
Molecular FormulaC22H28FN3
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine
SMILESCC1Cc2ccc(N)cc2N1C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3/c1-16-14-18-4-7-20(24)15-22(18)26(16)21-9-12-25(13-10-21)11-8-17-2-5-19(23)6-3-17/h2-7,15-16,21H,8-14,24H2,1H3
InChIKeyBGPRSXMEJULJHY-UHFFFAOYSA-N
XLogP3.87
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.87
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-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine (CID 18427431) is 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine is CC1Cc2ccc(N)cc2N1C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine?
The InChIKey is BGPRSXMEJULJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3/c1-16-14-18-4-7-20(24)15-22(18)26(16)21-9-12-25(13-10-21)11-8-17-2-5-19(23)6-3-17/h2-7,15-16,21H,8-14,24H2,1H3.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine?
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methyl-2,3-dihydroindol-6-amine has a molecular weight of 353.49 g/mol, XLogP of 3.87, 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-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 18427431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).