3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol

C30H34N2O2 — CID 10204510

IUPAC3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
SMILESCc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C30H34N2O2/c1-22-6-10-25(11-7-22)30-23(2)28-20-26(33)12-15-29(28)32(30)21-24-8-13-27(14-9-24)34-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19,21H2,1-2H3
InChIKeyUWLYKIFSJQWOHY-UHFFFAOYSA-N
MW454.61 g/mol
LogP6.54
Rot. Bonds7

About 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol

3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol (PubChem CID 10204510) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
PubChem CID10204510
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
SMILESCc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C30H34N2O2/c1-22-6-10-25(11-7-22)30-23(2)28-20-26(33)12-15-29(28)32(30)21-24-8-13-27(14-9-24)34-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19,21H2,1-2H3
InChIKeyUWLYKIFSJQWOHY-UHFFFAOYSA-N
XLogP6.54
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol?
The IUPAC name of 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol (CID 10204510) is 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol is Cc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol?
The InChIKey is UWLYKIFSJQWOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-22-6-10-25(11-7-22)30-23(2)28-20-26(33)12-15-29(28)32(30)21-24-8-13-27(14-9-24)34-19-18-31-16-4-3-5-17-31/h6-15,20,33H,3-5,16-19,21H2,1-2H3.
What are the key properties of 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol?
3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol has a molecular weight of 454.61 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol is sourced from PubChem (CID 10204510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).