4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole

C23H28N2O — CID 90468037

IUPAC4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
SMILESCOC1CCN(Cc2c(C)cc(C)c3[nH]ccc23)C(c2ccccc2)C1
InChIInChI=1S/C23H28N2O/c1-16-13-17(2)23-20(9-11-24-23)21(16)15-25-12-10-19(26-3)14-22(25)18-7-5-4-6-8-18/h4-9,11,13,19,22,24H,10,12,14-15H2,1-3H3
InChIKeyYMPJBKLLEMBQMA-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.14
Rot. Bonds4

About 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole

4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole (PubChem CID 90468037) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
PubChem CID90468037
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
SMILESCOC1CCN(Cc2c(C)cc(C)c3[nH]ccc23)C(c2ccccc2)C1
InChIInChI=1S/C23H28N2O/c1-16-13-17(2)23-20(9-11-24-23)21(16)15-25-12-10-19(26-3)14-22(25)18-7-5-4-6-8-18/h4-9,11,13,19,22,24H,10,12,14-15H2,1-3H3
InChIKeyYMPJBKLLEMBQMA-UHFFFAOYSA-N
XLogP5.14
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole?
The IUPAC name of 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole (CID 90468037) is 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole.
What is the SMILES notation for 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole?
The canonical SMILES for 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole is COC1CCN(Cc2c(C)cc(C)c3[nH]ccc23)C(c2ccccc2)C1.
What is the InChIKey of 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole?
The InChIKey is YMPJBKLLEMBQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-16-13-17(2)23-20(9-11-24-23)21(16)15-25-12-10-19(26-3)14-22(25)18-7-5-4-6-8-18/h4-9,11,13,19,22,24H,10,12,14-15H2,1-3H3.
What are the key properties of 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole?
4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole has a molecular weight of 348.49 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2-phenylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole is sourced from PubChem (CID 90468037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).