2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole

C23H27ClN2O — CID 10524003

IUPAC2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole
SMILESCn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc21
InChIInChI=1S/C23H27ClN2O/c1-25-22-8-4-3-7-20(22)21(13-16-26-14-5-2-6-15-26)23(25)17-27-19-11-9-18(24)10-12-19/h3-4,7-12H,2,5-6,13-17H2,1H3
InChIKeyCUILOIKYNXRMEP-UHFFFAOYSA-N
MW382.94 g/mol
LogP5.44
Rot. Bonds6

About 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole

2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole (PubChem CID 10524003) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole
PubChem CID10524003
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole
SMILESCn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc21
InChIInChI=1S/C23H27ClN2O/c1-25-22-8-4-3-7-20(22)21(13-16-26-14-5-2-6-15-26)23(25)17-27-19-11-9-18(24)10-12-19/h3-4,7-12H,2,5-6,13-17H2,1H3
InChIKeyCUILOIKYNXRMEP-UHFFFAOYSA-N
XLogP5.44
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.94
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

Pipendoxifene
CID 6433099
Hamaline
CID 145927371
5-(benzyloxy)-1,2-dimethyl-1H-indole
CID 975124
[5-[3-(1-Benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methanol
CID 76318340
5-Chloro-1-(4-fluoro-phenyl)-3-(2-piperidin-1-yl-ethoxy)-1H-indole
CID 10499570
{2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10544602
2-[(4-Chlorophenoxy)methyl]-1-(2-piperidin-1-ylethyl)-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indole
CID 10554658
{2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yloxy]-ethyl}-dimethyl-amine
CID 10592734
5-Chloro-1-(4-fluoro-phenyl)-3-(2-morpholin-4-yl-ethoxy)-1H-indole
CID 10595604
1''-[2-(4-Chloro-phenoxymethyl)-1-methyl-1H-indol-3-ylmethyl]-[1,4'']bipiperidinyl
CID 10671331
1-[2-[(4-Chlorophenoxy)methyl]-1-methylindol-3-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 10672357
1-Benzyl-7-[(4-chlorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11538092

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole (CID 10524003) is 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole is Cn1c(COc2ccc(Cl)cc2)c(CCN2CCCCC2)c2ccccc21.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole?
The InChIKey is CUILOIKYNXRMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-25-22-8-4-3-7-20(22)21(13-16-26-14-5-2-6-15-26)23(25)17-27-19-11-9-18(24)10-12-19/h3-4,7-12H,2,5-6,13-17H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole?
2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole has a molecular weight of 382.94 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(2-piperidin-1-ylethyl)indole is sourced from PubChem (CID 10524003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).