5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole

C17H24N2O — CID 114509798

IUPAC5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole
SMILESCCOc1ccc2[nH]cc(C3CCNCC3CC)c2c1
InChIInChI=1S/C17H24N2O/c1-3-12-10-18-8-7-14(12)16-11-19-17-6-5-13(20-4-2)9-15(16)17/h5-6,9,11-12,14,18-19H,3-4,7-8,10H2,1-2H3
InChIKeyJRZOYNJJSKLCPD-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.67
Rot. Bonds4

About 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole

5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole (PubChem CID 114509798) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole
PubChem CID114509798
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole
SMILESCCOc1ccc2[nH]cc(C3CCNCC3CC)c2c1
InChIInChI=1S/C17H24N2O/c1-3-12-10-18-8-7-14(12)16-11-19-17-6-5-13(20-4-2)9-15(16)17/h5-6,9,11-12,14,18-19H,3-4,7-8,10H2,1-2H3
InChIKeyJRZOYNJJSKLCPD-UHFFFAOYSA-N
XLogP3.67
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole?
The IUPAC name of 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole (CID 114509798) is 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole is CCOc1ccc2[nH]cc(C3CCNCC3CC)c2c1.
What is the InChIKey of 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole?
The InChIKey is JRZOYNJJSKLCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-12-10-18-8-7-14(12)16-11-19-17-6-5-13(20-4-2)9-15(16)17/h5-6,9,11-12,14,18-19H,3-4,7-8,10H2,1-2H3.
What are the key properties of 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole?
5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole has a molecular weight of 272.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(3-ethylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 114509798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).