3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole

C19H30N2O2 — CID 141196849

IUPAC3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole
SMILESCCOCCOCCN1CCC(C2CNc3ccccc32)CC1
InChIInChI=1S/C19H30N2O2/c1-2-22-13-14-23-12-11-21-9-7-16(8-10-21)18-15-20-19-6-4-3-5-17(18)19/h3-6,16,18,20H,2,7-15H2,1H3
InChIKeyGPXQOBIDDFCNGI-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.96
Rot. Bonds8

About 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole

3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole (PubChem CID 141196849) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole
PubChem CID141196849
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole
SMILESCCOCCOCCN1CCC(C2CNc3ccccc32)CC1
InChIInChI=1S/C19H30N2O2/c1-2-22-13-14-23-12-11-21-9-7-16(8-10-21)18-15-20-19-6-4-3-5-17(18)19/h3-6,16,18,20H,2,7-15H2,1H3
InChIKeyGPXQOBIDDFCNGI-UHFFFAOYSA-N
XLogP2.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole
CID 141196850
2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol
CID 121465816
3-(4-tert-butylcyclohexyl)-2,3-dihydro-1H-indole
CID 106820253
2,3-dihydro-1H-indol-3-yl 4-(1-propylpiperidin-4-yl)piperidine-1-carboxylate
CID 140563236
3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574620
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
(4aR,8aR)-2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178896
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
CID 100962245
ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178993
1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 21135993

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole (CID 141196849) is 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole is CCOCCOCCN1CCC(C2CNc3ccccc32)CC1.
What is the InChIKey of 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole?
The InChIKey is GPXQOBIDDFCNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-2-22-13-14-23-12-11-21-9-7-16(8-10-21)18-15-20-19-6-4-3-5-17(18)19/h3-6,16,18,20H,2,7-15H2,1H3.
What are the key properties of 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole?
3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole has a molecular weight of 318.46 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 141196849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).