1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole

C18H26N2O2 — CID 11174156

IUPAC1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole
SMILESCCOCCn1cc(C2CCNCC2)c2cc(OC)ccc21
InChIInChI=1S/C18H26N2O2/c1-3-22-11-10-20-13-17(14-6-8-19-9-7-14)16-12-15(21-2)4-5-18(16)20/h4-5,12-14,19H,3,6-11H2,1-2H3
InChIKeyWGZCTNBFGHYMOI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.15
Rot. Bonds6

About 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole

1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole (PubChem CID 11174156) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole
PubChem CID11174156
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole
SMILESCCOCCn1cc(C2CCNCC2)c2cc(OC)ccc21
InChIInChI=1S/C18H26N2O2/c1-3-22-11-10-20-13-17(14-6-8-19-9-7-14)16-12-15(21-2)4-5-18(16)20/h4-5,12-14,19H,3,6-11H2,1-2H3
InChIKeyWGZCTNBFGHYMOI-UHFFFAOYSA-N
XLogP3.15
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[1-(2-ethoxyethyl)-5-methoxyindol-3-yl]piperidine-1-carboxylate
CID 11268835
4-[3-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]benzonitrile
CID 23444823
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
2-[2-[4-[1-(2-ethoxyethyl)-5-fluoroindol-3-yl]piperidin-1-yl]ethoxy]-4-methoxybenzoic acid;2-[2-[4-[1-(2-ethoxyethyl)-7-methylindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 159698935
4-(5-methoxy-3-piperidin-4-ylindol-1-yl)sulfonylisoquinoline
CID 155518290
methyl 3-cyclopropyl-1-(2-methoxyethyl)indole-5-carboxylate
CID 90128387
3,5-dibromo-2-[2-[4-[5-bromo-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 23444886
2-[4-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 11259138
2-[4-[3-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]phenyl]acetic acid
CID 23444838
5-tert-butyl-1-methyl-3-piperidin-4-ylindole
CID 58080359
4-(6-methoxy-1-benzothiophen-3-yl)piperidine
CID 82374303
3-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1-(2-ethoxyethyl)indole
CID 46090001

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole?
The IUPAC name of 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole (CID 11174156) is 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole?
The canonical SMILES for 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole is CCOCCn1cc(C2CCNCC2)c2cc(OC)ccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole?
The InChIKey is WGZCTNBFGHYMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-22-11-10-20-13-17(14-6-8-19-9-7-14)16-12-15(21-2)4-5-18(16)20/h4-5,12-14,19H,3,6-11H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole?
1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole has a molecular weight of 302.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-methoxy-3-piperidin-4-ylindole is sourced from PubChem (CID 11174156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).