2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol

C30H34N2O3 — CID 91409134

IUPAC2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol
SMILESCc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2cccc(O)c12
InChIInChI=1S/C30H34N2O3/c1-22-29-27(7-5-8-28(29)34)32(30(22)24-11-13-25(33)14-12-24)21-23-9-15-26(16-10-23)35-20-6-19-31-17-3-2-4-18-31/h5,7-16,33-34H,2-4,6,17-21H2,1H3
InChIKeyCJLYXTAKCCIJMO-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.33
Rot. Bonds8

About 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol

2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol (PubChem CID 91409134) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol
PubChem CID91409134
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol
SMILESCc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2cccc(O)c12
InChIInChI=1S/C30H34N2O3/c1-22-29-27(7-5-8-28(29)34)32(30(22)24-11-13-25(33)14-12-24)21-23-9-15-26(16-10-23)35-20-6-19-31-17-3-2-4-18-31/h5,7-16,33-34H,2-4,6,17-21H2,1H3
InChIKeyCJLYXTAKCCIJMO-UHFFFAOYSA-N
XLogP6.33
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
3-methyl-2-(4-phenylmethoxyphenyl)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 20747240
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol;propanedioic acid
CID 25207257
3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
CID 91000508
2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;hydrochloride
CID 10301731
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-methoxy-2-(4-methoxyphenyl)-3-methylindole;hydrochloride
CID 10302204
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;(Z)-but-2-enedioic acid
CID 71502610
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)phenyl]-3-methylindole
CID 153406432
4-phenylphenol;1-[3-(4-phenylphenoxy)propyl]pyrrolidine;3-pyrrolidin-1-ylpropan-1-ol
CID 161417756
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-3-methylindole
CID 90967728
4-[2-(4-hydroxyphenyl)-3-methyl-1-[[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]indol-5-yl]phenol
CID 174448619
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-methoxyethoxymethoxy)-2-[4-(2-methoxyethoxymethoxy)phenyl]-3-methylindole
CID 153406433

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol (CID 91409134) is 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol is Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCCN3CCCCC3)cc2)c2cccc(O)c12.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol?
The InChIKey is CJLYXTAKCCIJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-22-29-27(7-5-8-28(29)34)32(30(22)24-11-13-25(33)14-12-24)21-23-9-15-26(16-10-23)35-20-6-19-31-17-3-2-4-18-31/h5,7-16,33-34H,2-4,6,17-21H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol?
2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol has a molecular weight of 470.61 g/mol, XLogP of 6.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol is sourced from PubChem (CID 91409134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).