methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate

C16H20N2O3 — CID 66906133

IUPACmethyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2cc(N3CCC(O)CC3)ccc12
InChIInChI=1S/C16H20N2O3/c1-17-10-14(16(20)21-2)13-4-3-11(9-15(13)17)18-7-5-12(19)6-8-18/h3-4,9-10,12,19H,5-8H2,1-2H3
InChIKeyUNRKATDIBLYQMJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.93
Rot. Bonds2

About methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate

methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate (PubChem CID 66906133) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate
PubChem CID66906133
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate
SMILESCOC(=O)c1cn(C)c2cc(N3CCC(O)CC3)ccc12
InChIInChI=1S/C16H20N2O3/c1-17-10-14(16(20)21-2)13-4-3-11(9-15(13)17)18-7-5-12(19)6-8-18/h3-4,9-10,12,19H,5-8H2,1-2H3
InChIKeyUNRKATDIBLYQMJ-UHFFFAOYSA-N
XLogP1.93
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate?
The IUPAC name of methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate (CID 66906133) is methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate.
What is the SMILES notation for methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate?
The canonical SMILES for methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate is COC(=O)c1cn(C)c2cc(N3CCC(O)CC3)ccc12.
What is the InChIKey of methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate?
The InChIKey is UNRKATDIBLYQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-17-10-14(16(20)21-2)13-4-3-11(9-15(13)17)18-7-5-12(19)6-8-18/h3-4,9-10,12,19H,5-8H2,1-2H3.
What are the key properties of methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate?
methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-hydroxypiperidin-1-yl)-1-methylindole-3-carboxylate is sourced from PubChem (CID 66906133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).