1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole

C19H28N2O — CID 91188508

IUPAC1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole
SMILESCOCCN1CCC(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C19H28N2O/c1-22-16-15-20-12-8-17(9-13-20)5-4-11-21-14-10-18-6-2-3-7-19(18)21/h2-3,6-7,10,14,17H,4-5,8-9,11-13,15-16H2,1H3
InChIKeyZEARSMYAWACMDQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.78
Rot. Bonds7

About 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole

1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole (PubChem CID 91188508) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole.

Molecular Properties

Compound Name1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole
PubChem CID91188508
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole
SMILESCOCCN1CCC(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C19H28N2O/c1-22-16-15-20-12-8-17(9-13-20)5-4-11-21-14-10-18-6-2-3-7-19(18)21/h2-3,6-7,10,14,17H,4-5,8-9,11-13,15-16H2,1H3
InChIKeyZEARSMYAWACMDQ-UHFFFAOYSA-N
XLogP3.78
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole
CID 22989675
1-(3-indol-1-ylpropyl)-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylguanidine
CID 111789494
1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole
CID 22989591
1-[2-(4-methylpiperidin-1-yl)ethyl]indole
CID 22989568
1-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 3018029
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111785300
4-(2-indol-1-ylethyl)piperidine-1-carboxylic acid
CID 67084567
N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111735707
N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
CID 28716039
N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine
CID 62534294
1-(2-methoxyethyl)-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 149331751
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole?
The IUPAC name of 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole (CID 91188508) is 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole.
What is the SMILES notation for 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole?
The canonical SMILES for 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole is COCCN1CCC(CCCn2ccc3ccccc32)CC1.
What is the InChIKey of 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole?
The InChIKey is ZEARSMYAWACMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-22-16-15-20-12-8-17(9-13-20)5-4-11-21-14-10-18-6-2-3-7-19(18)21/h2-3,6-7,10,14,17H,4-5,8-9,11-13,15-16H2,1H3.
What are the key properties of 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole?
1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole has a molecular weight of 300.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2-methoxyethyl)piperidin-4-yl]propyl]indole is sourced from PubChem (CID 91188508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).