1-(4-methoxyphenyl)-2-piperazin-1-ylindole

C19H21N3O — CID 67370732

IUPAC1-(4-methoxyphenyl)-2-piperazin-1-ylindole
SMILESCOc1ccc(-n2c(N3CCNCC3)cc3ccccc32)cc1
InChIInChI=1S/C19H21N3O/c1-23-17-8-6-16(7-9-17)22-18-5-3-2-4-15(18)14-19(22)21-12-10-20-11-13-21/h2-9,14,20H,10-13H2,1H3
InChIKeyDQEPIOXGCIXTHN-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.05
Rot. Bonds3

About 1-(4-methoxyphenyl)-2-piperazin-1-ylindole

1-(4-methoxyphenyl)-2-piperazin-1-ylindole (PubChem CID 67370732) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-piperazin-1-ylindole
PubChem CID67370732
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(4-methoxyphenyl)-2-piperazin-1-ylindole
SMILESCOc1ccc(-n2c(N3CCNCC3)cc3ccccc32)cc1
InChIInChI=1S/C19H21N3O/c1-23-17-8-6-16(7-9-17)22-18-5-3-2-4-15(18)14-19(22)21-12-10-20-11-13-21/h2-9,14,20H,10-13H2,1H3
InChIKeyDQEPIOXGCIXTHN-UHFFFAOYSA-N
XLogP3.05
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-piperazin-1-ylindole?
The IUPAC name of 1-(4-methoxyphenyl)-2-piperazin-1-ylindole (CID 67370732) is 1-(4-methoxyphenyl)-2-piperazin-1-ylindole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-piperazin-1-ylindole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-piperazin-1-ylindole is COc1ccc(-n2c(N3CCNCC3)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-piperazin-1-ylindole?
The InChIKey is DQEPIOXGCIXTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-23-17-8-6-16(7-9-17)22-18-5-3-2-4-15(18)14-19(22)21-12-10-20-11-13-21/h2-9,14,20H,10-13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-piperazin-1-ylindole?
1-(4-methoxyphenyl)-2-piperazin-1-ylindole has a molecular weight of 307.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-piperazin-1-ylindole is sourced from PubChem (CID 67370732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).