2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol

C25H32N2O2 — CID 3704812

IUPAC2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol
SMILESCOc1ccc2c(c1)c(C(O)CN1CCC(Cc3ccccc3)CC1)c(C)n2C
InChIInChI=1S/C25H32N2O2/c1-18-25(22-16-21(29-3)9-10-23(22)26(18)2)24(28)17-27-13-11-20(12-14-27)15-19-7-5-4-6-8-19/h4-10,16,20,24,28H,11-15,17H2,1-3H3
InChIKeyZCXJDVQGWDEQDD-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.48
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol

2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol (PubChem CID 3704812) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol
PubChem CID3704812
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol
SMILESCOc1ccc2c(c1)c(C(O)CN1CCC(Cc3ccccc3)CC1)c(C)n2C
InChIInChI=1S/C25H32N2O2/c1-18-25(22-16-21(29-3)9-10-23(22)26(18)2)24(28)17-27-13-11-20(12-14-27)15-19-7-5-4-6-8-19/h4-10,16,20,24,28H,11-15,17H2,1-3H3
InChIKeyZCXJDVQGWDEQDD-UHFFFAOYSA-N
XLogP4.48
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol (CID 3704812) is 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol is COc1ccc2c(c1)c(C(O)CN1CCC(Cc3ccccc3)CC1)c(C)n2C.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol?
The InChIKey is ZCXJDVQGWDEQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18-25(22-16-21(29-3)9-10-23(22)26(18)2)24(28)17-27-13-11-20(12-14-27)15-19-7-5-4-6-8-19/h4-10,16,20,24,28H,11-15,17H2,1-3H3.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol?
2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol has a molecular weight of 392.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanol is sourced from PubChem (CID 3704812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).