5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole

C15H20N2O — CID 19027

IUPAC5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCOc1ccc2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C15H20N2O/c1-18-13-2-3-15-14(9-13)12(10-17-15)8-11-4-6-16-7-5-11/h2-3,9-11,16-17H,4-8H2,1H3
InChIKeyURURNXZHHMVWSK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.72
Rot. Bonds3

About 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole

5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole (PubChem CID 19027) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
PubChem CID19027
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCOc1ccc2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C15H20N2O/c1-18-13-2-3-15-14(9-13)12(10-17-15)8-11-4-6-16-7-5-11/h2-3,9-11,16-17H,4-8H2,1H3
InChIKeyURURNXZHHMVWSK-UHFFFAOYSA-N
XLogP2.72
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole?
The IUPAC name of 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole (CID 19027) is 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole.
What is the SMILES notation for 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole?
The canonical SMILES for 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole is COc1ccc2[nH]cc(CC3CCNCC3)c2c1.
What is the InChIKey of 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole?
The InChIKey is URURNXZHHMVWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-13-2-3-15-14(9-13)12(10-17-15)8-11-4-6-16-7-5-11/h2-3,9-11,16-17H,4-8H2,1H3.
What are the key properties of 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole?
5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole has a molecular weight of 244.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(piperidin-4-ylmethyl)-1H-indole is sourced from PubChem (CID 19027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).