3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole

C32H38N2O2 — CID 91000508

IUPAC3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
SMILESCc1c(-c2ccc(OC(C)C)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C32H38N2O2/c1-24(2)36-29-17-13-27(14-18-29)32-25(3)30-9-5-6-10-31(30)34(32)23-26-11-15-28(16-12-26)35-22-21-33-19-7-4-8-20-33/h5-6,9-18,24H,4,7-8,19-23H2,1-3H3
InChIKeyOHNWRFYEWYWZHD-UHFFFAOYSA-N
MW482.67 g/mol
LogP7.32
Rot. Bonds9

About 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole

3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole (PubChem CID 91000508) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole.

Molecular Properties

Compound Name3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
PubChem CID91000508
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC Name3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
SMILESCc1c(-c2ccc(OC(C)C)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C32H38N2O2/c1-24(2)36-29-17-13-27(14-18-29)32-25(3)30-9-5-6-10-31(30)34(32)23-26-11-15-28(16-12-26)35-22-21-33-19-7-4-8-20-33/h5-6,9-18,24H,4,7-8,19-23H2,1-3H3
InChIKeyOHNWRFYEWYWZHD-UHFFFAOYSA-N
XLogP7.32
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-(2-ethoxyethoxy)-2-[4-(2-ethoxyethoxy)phenyl]-3-methylindole
CID 153406432
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-3-methylindole
CID 90967728
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]-5-(2-methoxyethoxymethoxy)-2-[4-(2-methoxyethoxymethoxy)phenyl]-3-methylindole
CID 153406433
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole;(Z)-but-2-enedioic acid
CID 71502610
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
2-(4-hydroxyphenyl)-3-methyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-4-ol
CID 91409134
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-propan-2-yloxyphenyl)indole
CID 15545816
11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole
CID 57233587
2-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol;hydrochloride
CID 10301731

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole?
The IUPAC name of 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole (CID 91000508) is 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole.
What is the SMILES notation for 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole?
The canonical SMILES for 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole is Cc1c(-c2ccc(OC(C)C)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12.
What is the InChIKey of 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole?
The InChIKey is OHNWRFYEWYWZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-24(2)36-29-17-13-27(14-18-29)32-25(3)30-9-5-6-10-31(30)34(32)23-26-11-15-28(16-12-26)35-22-21-33-19-7-4-8-20-33/h5-6,9-18,24H,4,7-8,19-23H2,1-3H3.
What are the key properties of 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole?
3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole has a molecular weight of 482.67 g/mol, XLogP of 7.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole is sourced from PubChem (CID 91000508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).