N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine

C21H25F2N3 — CID 174391747

IUPACN-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine
SMILESFc1ccc(CCN2CCC(NN3CCc4ccccc43)CC2)c(F)c1
InChIInChI=1S/C21H25F2N3/c22-18-6-5-16(20(23)15-18)7-11-25-12-9-19(10-13-25)24-26-14-8-17-3-1-2-4-21(17)26/h1-6,15,19,24H,7-14H2
InChIKeyQTQRLYJIAADPTH-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.54
Rot. Bonds5

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

N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine (PubChem CID 174391747) has the molecular formula C21H25F2N3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine
PubChem CID174391747
Molecular FormulaC21H25F2N3
Molecular Weight357.45 g/mol
Exact Mass357.20
IUPAC NameN-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine
SMILESFc1ccc(CCN2CCC(NN3CCc4ccccc43)CC2)c(F)c1
InChIInChI=1S/C21H25F2N3/c22-18-6-5-16(20(23)15-18)7-11-25-12-9-19(10-13-25)24-26-14-8-17-3-1-2-4-21(17)26/h1-6,15,19,24H,7-14H2
InChIKeyQTQRLYJIAADPTH-UHFFFAOYSA-N
XLogP3.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine?
The IUPAC name of N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine (CID 174391747) is N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine.
What is the SMILES notation for N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine?
The canonical SMILES for N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine is Fc1ccc(CCN2CCC(NN3CCc4ccccc43)CC2)c(F)c1.
What is the InChIKey of N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine?
The InChIKey is QTQRLYJIAADPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3/c22-18-6-5-16(20(23)15-18)7-11-25-12-9-19(10-13-25)24-26-14-8-17-3-1-2-4-21(17)26/h1-6,15,19,24H,7-14H2.
What are the key properties of N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine?
N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine has a molecular weight of 357.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-1-amine is sourced from PubChem (CID 174391747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).