5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol

C31H34N2O3 — CID 18784024

IUPAC5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol
SMILESCOC1Cc2c(n(Cc3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc23)-c2ccccc21
InChIInChI=1S/C31H34N2O3/c1-35-30-20-28-27-19-23(34)11-14-29(27)33(31(28)26-8-4-3-7-25(26)30)21-22-9-12-24(13-10-22)36-18-17-32-15-5-2-6-16-32/h3-4,7-14,19,30,34H,2,5-6,15-18,20-21H2,1H3
InChIKeyJRRLJQBQMXAGSN-UHFFFAOYSA-N
MW482.62 g/mol
LogP6.17
Rot. Bonds7

About 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol

5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol (PubChem CID 18784024) has the molecular formula C31H34N2O3 and a molecular weight of 482.62 g/mol. Its IUPAC name is 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol.

Molecular Properties

Compound Name5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol
PubChem CID18784024
Molecular FormulaC31H34N2O3
Molecular Weight482.62 g/mol
Exact Mass482.26
IUPAC Name5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol
SMILESCOC1Cc2c(n(Cc3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc23)-c2ccccc21
InChIInChI=1S/C31H34N2O3/c1-35-30-20-28-27-19-23(34)11-14-29(27)33(31(28)26-8-4-3-7-25(26)30)21-22-9-12-24(13-10-22)36-18-17-32-15-5-2-6-16-32/h3-4,7-14,19,30,34H,2,5-6,15-18,20-21H2,1H3
InChIKeyJRRLJQBQMXAGSN-UHFFFAOYSA-N
XLogP6.17
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol with MolForge

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Related Compounds

2-(2,4-dimethoxyphenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
CID 10207216
9-methoxy-12-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole
CID 59676060
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
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
8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole
CID 59448249
2-(4-hydroxyphenyl)-1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methylindol-5-ol
CID 10299856
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]-2-methylindole
CID 139899858

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol?
The IUPAC name of 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol (CID 18784024) is 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol.
What is the SMILES notation for 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol?
The canonical SMILES for 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol is COC1Cc2c(n(Cc3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc23)-c2ccccc21.
What is the InChIKey of 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol?
The InChIKey is JRRLJQBQMXAGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3/c1-35-30-20-28-27-19-23(34)11-14-29(27)33(31(28)26-8-4-3-7-25(26)30)21-22-9-12-24(13-10-22)36-18-17-32-15-5-2-6-16-32/h3-4,7-14,19,30,34H,2,5-6,15-18,20-21H2,1H3.
What are the key properties of 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol?
5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol has a molecular weight of 482.62 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol is sourced from PubChem (CID 18784024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).