5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole

C16H22N2O — CID 10467710

IUPAC5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CCCCC3)c2c1
InChIInChI=1S/C16H22N2O/c1-19-14-5-6-16-15(11-14)13(12-17-16)7-10-18-8-3-2-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3
InChIKeyQVWFRPYLSDUCFB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.20
Rot. Bonds4

About 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole

5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole (PubChem CID 10467710) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole
PubChem CID10467710
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole
SMILESCOc1ccc2[nH]cc(CCN3CCCCC3)c2c1
InChIInChI=1S/C16H22N2O/c1-19-14-5-6-16-15(11-14)13(12-17-16)7-10-18-8-3-2-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3
InChIKeyQVWFRPYLSDUCFB-UHFFFAOYSA-N
XLogP3.20
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole?
The IUPAC name of 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole (CID 10467710) is 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole.
What is the SMILES notation for 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole?
The canonical SMILES for 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole is COc1ccc2[nH]cc(CCN3CCCCC3)c2c1.
What is the InChIKey of 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole?
The InChIKey is QVWFRPYLSDUCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-19-14-5-6-16-15(11-14)13(12-17-16)7-10-18-8-3-2-4-9-18/h5-6,11-12,17H,2-4,7-10H2,1H3.
What are the key properties of 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole?
5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole has a molecular weight of 258.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-piperidin-1-ylethyl)-1H-indole is sourced from PubChem (CID 10467710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).