1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole

C23H27FN2O — CID 22038151

IUPAC1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole
SMILESCOc1ccc2ccn(C3CCCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C23H27FN2O/c1-27-22-9-6-19-11-16-26(23(19)17-22)21-3-2-13-25(15-12-21)14-10-18-4-7-20(24)8-5-18/h4-9,11,16-17,21H,2-3,10,12-15H2,1H3
InChIKeyYYJOOWUNCRAJJM-UHFFFAOYSA-N
MW366.48 g/mol
LogP5.06
Rot. Bonds5

About 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole

1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole (PubChem CID 22038151) has the molecular formula C23H27FN2O and a molecular weight of 366.48 g/mol. Its IUPAC name is 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole.

Molecular Properties

Compound Name1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole
PubChem CID22038151
Molecular FormulaC23H27FN2O
Molecular Weight366.48 g/mol
Exact Mass366.21
IUPAC Name1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole
SMILESCOc1ccc2ccn(C3CCCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C23H27FN2O/c1-27-22-9-6-19-11-16-26(23(19)17-22)21-3-2-13-25(15-12-21)14-10-18-4-7-20(24)8-5-18/h4-9,11,16-17,21H,2-3,10,12-15H2,1H3
InChIKeyYYJOOWUNCRAJJM-UHFFFAOYSA-N
XLogP5.06
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]indole
CID 139805683
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indole-6-carbaldehyde
CID 22038296
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide
CID 22038327
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
CID 22037940
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide
CID 22038244
N-cyano-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
CID 87903495
3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 23377466
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid
CID 22038162
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole?
The IUPAC name of 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole (CID 22038151) is 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole.
What is the SMILES notation for 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole?
The canonical SMILES for 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole is COc1ccc2ccn(C3CCCN(CCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole?
The InChIKey is YYJOOWUNCRAJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O/c1-27-22-9-6-19-11-16-26(23(19)17-22)21-3-2-13-25(15-12-21)14-10-18-4-7-20(24)8-5-18/h4-9,11,16-17,21H,2-3,10,12-15H2,1H3.
What are the key properties of 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole?
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole has a molecular weight of 366.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxyindole is sourced from PubChem (CID 22038151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).