1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine

C16H23N3O — CID 141163156

IUPAC1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2ccn(CCN3CCC(N)CC3)c2c1
InChIInChI=1S/C16H23N3O/c1-20-15-3-2-13-4-9-19(16(13)12-15)11-10-18-7-5-14(17)6-8-18/h2-4,9,12,14H,5-8,10-11,17H2,1H3
InChIKeySKMXHSOTIYQOFV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine

1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine (PubChem CID 141163156) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine
PubChem CID141163156
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine
SMILESCOc1ccc2ccn(CCN3CCC(N)CC3)c2c1
InChIInChI=1S/C16H23N3O/c1-20-15-3-2-13-4-9-19(16(13)12-15)11-10-18-7-5-14(17)6-8-18/h2-4,9,12,14H,5-8,10-11,17H2,1H3
InChIKeySKMXHSOTIYQOFV-UHFFFAOYSA-N
XLogP2.07
TPSA43.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine (CID 141163156) is 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine is COc1ccc2ccn(CCN3CCC(N)CC3)c2c1.
What is the InChIKey of 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine?
The InChIKey is SKMXHSOTIYQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-20-15-3-2-13-4-9-19(16(13)12-15)11-10-18-7-5-14(17)6-8-18/h2-4,9,12,14H,5-8,10-11,17H2,1H3.
What are the key properties of 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine?
1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 141163156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).