2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

C24H30FN3O — CID 58730850

IUPAC2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(F)c4)c(C)c3c2)CC1
InChIInChI=1S/C24H30FN3O/c1-16-20-14-18(17-8-11-28(12-9-17)13-10-26-2)4-6-22(20)27-24(16)19-5-7-23(29-3)21(25)15-19/h4-7,14-15,17,26-27H,8-13H2,1-3H3
InChIKeyFAJLTTDUEBOTBM-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.69
Rot. Bonds6

About 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 58730850) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID58730850
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(F)c4)c(C)c3c2)CC1
InChIInChI=1S/C24H30FN3O/c1-16-20-14-18(17-8-11-28(12-9-17)13-10-26-2)4-6-22(20)27-24(16)19-5-7-23(29-3)21(25)15-19/h4-7,14-15,17,26-27H,8-13H2,1-3H3
InChIKeyFAJLTTDUEBOTBM-UHFFFAOYSA-N
XLogP4.69
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730857
2-[5-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]cyclohepten-1-yl]-N-methylethanamine
CID 143311705
2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730788
N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134329284
2-(3,4-dimethoxyphenyl)-5-[1-[1-(5-methoxypentyl)piperidin-4-yl]piperidin-4-yl]-3-methyl-1H-indole
CID 142283581
N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 58730842
N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 58730804
5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole
CID 134230502
2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134231010
1-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-2-(ethylamino)ethanone
CID 134230221
3-[4-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]piperidin-1-yl]propane-1,2-diol
CID 134230543
1-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-2-(ethylamino)ethanone;2,2,2-trifluoroacetic acid
CID 134231025

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 58730850) is 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(F)c4)c(C)c3c2)CC1.
What is the InChIKey of 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is FAJLTTDUEBOTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-16-20-14-18(17-8-11-28(12-9-17)13-10-26-2)4-6-22(20)27-24(16)19-5-7-23(29-3)21(25)15-19/h4-7,14-15,17,26-27H,8-13H2,1-3H3.
What are the key properties of 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 395.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 58730850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).