3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole

C23H28N2O — CID 10689091

IUPAC3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole
SMILESCOC[C@@H](c1ccccc1)N1CCCC[C@@H]1c1cn(C)c2ccccc12
InChIInChI=1S/C23H28N2O/c1-24-16-20(19-12-6-7-13-21(19)24)22-14-8-9-15-25(22)23(17-26-2)18-10-4-3-5-11-18/h3-7,10-13,16,22-23H,8-9,14-15,17H2,1-2H3/t22-,23+/m1/s1
InChIKeyGSTUYNOOVHABRP-PKTZIBPZSA-N
MW348.49 g/mol
LogP5.09
Rot. Bonds5

About 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole

3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole (PubChem CID 10689091) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole.

Molecular Properties

Compound Name3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole
PubChem CID10689091
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole
SMILESCOC[C@@H](c1ccccc1)N1CCCC[C@@H]1c1cn(C)c2ccccc12
InChIInChI=1S/C23H28N2O/c1-24-16-20(19-12-6-7-13-21(19)24)22-14-8-9-15-25(22)23(17-26-2)18-10-4-3-5-11-18/h3-7,10-13,16,22-23H,8-9,14-15,17H2,1-2H3/t22-,23+/m1/s1
InChIKeyGSTUYNOOVHABRP-PKTZIBPZSA-N
XLogP5.09
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole?
The IUPAC name of 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole (CID 10689091) is 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole.
What is the SMILES notation for 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole?
The canonical SMILES for 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole is COC[C@@H](c1ccccc1)N1CCCC[C@@H]1c1cn(C)c2ccccc12.
What is the InChIKey of 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole?
The InChIKey is GSTUYNOOVHABRP-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H28N2O/c1-24-16-20(19-12-6-7-13-21(19)24)22-14-8-9-15-25(22)23(17-26-2)18-10-4-3-5-11-18/h3-7,10-13,16,22-23H,8-9,14-15,17H2,1-2H3/t22-,23+/m1/s1.
What are the key properties of 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole?
3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole has a molecular weight of 348.49 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole is sourced from PubChem (CID 10689091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).