1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole

C23H28N2O2 — CID 175357552

IUPAC1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
SMILESCOc1cccc(Cn2ccc3cc(OCCN4CCCCC4)ccc32)c1
InChIInChI=1S/C23H28N2O2/c1-26-21-7-5-6-19(16-21)18-25-13-10-20-17-22(8-9-23(20)25)27-15-14-24-11-3-2-4-12-24/h5-10,13,16-17H,2-4,11-12,14-15,18H2,1H3
InChIKeyURLYGDUYUZQHML-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.56
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole

1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole (PubChem CID 175357552) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
PubChem CID175357552
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
SMILESCOc1cccc(Cn2ccc3cc(OCCN4CCCCC4)ccc32)c1
InChIInChI=1S/C23H28N2O2/c1-26-21-7-5-6-19(16-21)18-25-13-10-20-17-22(8-9-23(20)25)27-15-14-24-11-3-2-4-12-24/h5-10,13,16-17H,2-4,11-12,14-15,18H2,1H3
InChIKeyURLYGDUYUZQHML-UHFFFAOYSA-N
XLogP4.56
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
1-[2-(3-bromophenoxy)ethyl]-5-methoxyindole
CID 116619353
1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]indol-5-ol
CID 140981807
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
3-[(5-propoxyindol-1-yl)methyl]aniline
CID 80648798
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078
1-[2-[4-[(S)-(1-benzylpyrrol-2-yl)-(4-methoxyphenyl)methyl]phenoxy]ethyl]azepane
CID 129388947

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole (CID 175357552) is 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole is COc1cccc(Cn2ccc3cc(OCCN4CCCCC4)ccc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole?
The InChIKey is URLYGDUYUZQHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-26-21-7-5-6-19(16-21)18-25-13-10-20-17-22(8-9-23(20)25)27-15-14-24-11-3-2-4-12-24/h5-10,13,16-17H,2-4,11-12,14-15,18H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole?
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole has a molecular weight of 364.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole is sourced from PubChem (CID 175357552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).