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

C22H25ClN2O — CID 10619067

IUPAC2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole
SMILESCn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C22H25ClN2O/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKeyOUVHCTWMGVFCDT-UHFFFAOYSA-N
MW368.91 g/mol
LogP5.40
Rot. Bonds5

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

2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole (PubChem CID 10619067) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole
PubChem CID10619067
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole
SMILESCn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C22H25ClN2O/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-16H2,1H3
InChIKeyOUVHCTWMGVFCDT-UHFFFAOYSA-N
XLogP5.40
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.91
LogP ≤ 55.40
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
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
N,N-Dimethyl-2-(4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy)ethanamine
CID 389733
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-(4-Chloro-phenoxymethyl)-1-methyl-3-(2-piperidin-1-yl-ethyl)-1H-indole
CID 10524003
{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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole (CID 10619067) is 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole is Cn1c(COc2ccc(Cl)cc2)c(CN2CCCCC2)c2ccccc21.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole?
The InChIKey is OUVHCTWMGVFCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18/h3-4,7-12H,2,5-6,13-16H2,1H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole?
2-[(4-chlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole has a molecular weight of 368.91 g/mol, XLogP of 5.40, 5 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-(piperidin-1-ylmethyl)indole is sourced from PubChem (CID 10619067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).