4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol

C35H36N2O2 — CID 174448613

IUPAC4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
SMILESCc1c(-c2ccc(-c3ccc(O)cc3)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C35H36N2O2/c1-26-33-7-3-4-8-34(33)37(35(26)30-13-11-28(12-14-30)29-15-17-31(38)18-16-29)25-27-9-19-32(20-10-27)39-24-23-36-21-5-2-6-22-36/h3-4,7-20,38H,2,5-6,21-25H2,1H3
InChIKeyFJNHCMZRWYFXCC-UHFFFAOYSA-N
MW516.69 g/mol
LogP7.90
Rot. Bonds8

About 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol

4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol (PubChem CID 174448613) has the molecular formula C35H36N2O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
PubChem CID174448613
Molecular FormulaC35H36N2O2
Molecular Weight516.69 g/mol
Exact Mass516.28
IUPAC Name4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
SMILESCc1c(-c2ccc(-c3ccc(O)cc3)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C35H36N2O2/c1-26-33-7-3-4-8-34(33)37(35(26)30-13-11-28(12-14-30)29-15-17-31(38)18-16-29)25-27-9-19-32(20-10-27)39-24-23-36-21-5-2-6-22-36/h3-4,7-20,38H,2,5-6,21-25H2,1H3
InChIKeyFJNHCMZRWYFXCC-UHFFFAOYSA-N
XLogP7.90
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
CID 91000508
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol;propanedioic acid
CID 25207257
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-3-methylindole
CID 90967728
3-methyl-2-(4-phenylmethoxyphenyl)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 20747240
2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol
CID 91409134
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
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-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)phenyl]-3-methylindole
CID 153406432
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-(2-methoxyethoxymethoxy)-2-[4-(2-methoxyethoxymethoxy)phenyl]-3-methylindole
CID 153406433
4-[1-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindol-2-yl]phenol
CID 58899419

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol?
The IUPAC name of 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol (CID 174448613) is 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol.
What is the SMILES notation for 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol?
The canonical SMILES for 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol is Cc1c(-c2ccc(-c3ccc(O)cc3)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12.
What is the InChIKey of 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol?
The InChIKey is FJNHCMZRWYFXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O2/c1-26-33-7-3-4-8-34(33)37(35(26)30-13-11-28(12-14-30)29-15-17-31(38)18-16-29)25-27-9-19-32(20-10-27)39-24-23-36-21-5-2-6-22-36/h3-4,7-20,38H,2,5-6,21-25H2,1H3.
What are the key properties of 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol?
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol has a molecular weight of 516.69 g/mol, XLogP of 7.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol is sourced from PubChem (CID 174448613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).