ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate

C18H24N2O3 — CID 70878289

IUPACethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate
SMILESCCOC(=O)Cc1c(C)n(C2CCNCC2)c2ccc(O)cc12
InChIInChI=1S/C18H24N2O3/c1-3-23-18(22)11-15-12(2)20(13-6-8-19-9-7-13)17-5-4-14(21)10-16(15)17/h4-5,10,13,19,21H,3,6-9,11H2,1-2H3
InChIKeyCGGFQNLXNLCBBD-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.69
Rot. Bonds4

About ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate

ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate (PubChem CID 70878289) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate
PubChem CID70878289
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate
SMILESCCOC(=O)Cc1c(C)n(C2CCNCC2)c2ccc(O)cc12
InChIInChI=1S/C18H24N2O3/c1-3-23-18(22)11-15-12(2)20(13-6-8-19-9-7-13)17-5-4-14(21)10-16(15)17/h4-5,10,13,19,21H,3,6-9,11H2,1-2H3
InChIKeyCGGFQNLXNLCBBD-UHFFFAOYSA-N
XLogP2.69
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate (CID 70878289) is ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate is CCOC(=O)Cc1c(C)n(C2CCNCC2)c2ccc(O)cc12.
What is the InChIKey of ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate?
The InChIKey is CGGFQNLXNLCBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-23-18(22)11-15-12(2)20(13-6-8-19-9-7-13)17-5-4-14(21)10-16(15)17/h4-5,10,13,19,21H,3,6-9,11H2,1-2H3.
What are the key properties of ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate?
ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate has a molecular weight of 316.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate is sourced from PubChem (CID 70878289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).