4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole

C24H31N3O — CID 10156458

IUPAC4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole
SMILESCc1ccc(OCCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(C)c1
InChIInChI=1S/C24H31N3O/c1-19-8-9-24(20(2)18-19)28-17-4-3-12-26-13-15-27(16-14-26)23-7-5-6-22-21(23)10-11-25-22/h5-11,18,25H,3-4,12-17H2,1-2H3
InChIKeyNAIULWKBXNOWAL-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.77
Rot. Bonds7

About 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole

4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole (PubChem CID 10156458) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole
PubChem CID10156458
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole
SMILESCc1ccc(OCCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(C)c1
InChIInChI=1S/C24H31N3O/c1-19-8-9-24(20(2)18-19)28-17-4-3-12-26-13-15-27(16-14-26)23-7-5-6-22-21(23)10-11-25-22/h5-11,18,25H,3-4,12-17H2,1-2H3
InChIKeyNAIULWKBXNOWAL-UHFFFAOYSA-N
XLogP4.77
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-(2-methoxyphenoxy)butyl]piperazin-1-yl]-1H-indole
CID 10110269
2-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 172837364
3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]butoxy]benzonitrile
CID 10109963
4-[4-[4-(2,6-dimethylphenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10200617
4-[4-[4-(3-chlorophenyl)sulfanylbutyl]piperazin-1-yl]-1H-indole
CID 10111569
4-[4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091638
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
4-[4-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]propyl]piperazin-1-yl]-1H-indole;hydrochloride
CID 169091655
4-[4-[2-[(4-methyl-2,5-dihydropyridin-2-yl)oxy]ethyl]piperazin-1-yl]-1H-indole
CID 91385388
4-[4-[2-(2,5-dichlorophenyl)sulfanylethyl]piperazin-1-yl]-1H-indole
CID 10294734
4-(4-methyl-1,4-diazepan-1-yl)-1H-indole
CID 102049749
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole (CID 10156458) is 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole is Cc1ccc(OCCCCN2CCN(c3cccc4[nH]ccc34)CC2)c(C)c1.
What is the InChIKey of 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole?
The InChIKey is NAIULWKBXNOWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19-8-9-24(20(2)18-19)28-17-4-3-12-26-13-15-27(16-14-26)23-7-5-6-22-21(23)10-11-25-22/h5-11,18,25H,3-4,12-17H2,1-2H3.
What are the key properties of 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole?
4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole has a molecular weight of 377.53 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,4-dimethylphenoxy)butyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 10156458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).