1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole

C22H26ClN3 — CID 90182659

IUPAC1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole
SMILESClc1ccc(N2CCN(CCCCn3ccc4ccccc43)CC2)cc1
InChIInChI=1S/C22H26ClN3/c23-20-7-9-21(10-8-20)25-17-15-24(16-18-25)12-3-4-13-26-14-11-19-5-1-2-6-22(19)26/h1-2,5-11,14H,3-4,12-13,15-18H2
InChIKeyQMTVZMBCFVTWOR-UHFFFAOYSA-N
MW367.92 g/mol
LogP4.90
Rot. Bonds6

About 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole

1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole (PubChem CID 90182659) has the molecular formula C22H26ClN3 and a molecular weight of 367.92 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole
PubChem CID90182659
Molecular FormulaC22H26ClN3
Molecular Weight367.92 g/mol
Exact Mass367.18
IUPAC Name1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole
SMILESClc1ccc(N2CCN(CCCCn3ccc4ccccc43)CC2)cc1
InChIInChI=1S/C22H26ClN3/c23-20-7-9-21(10-8-20)25-17-15-24(16-18-25)12-3-4-13-26-14-11-19-5-1-2-6-22(19)26/h1-2,5-11,14H,3-4,12-13,15-18H2
InChIKeyQMTVZMBCFVTWOR-UHFFFAOYSA-N
XLogP4.90
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole?
The IUPAC name of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole (CID 90182659) is 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole.
What is the SMILES notation for 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole?
The canonical SMILES for 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole is Clc1ccc(N2CCN(CCCCn3ccc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole?
The InChIKey is QMTVZMBCFVTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3/c23-20-7-9-21(10-8-20)25-17-15-24(16-18-25)12-3-4-13-26-14-11-19-5-1-2-6-22(19)26/h1-2,5-11,14H,3-4,12-13,15-18H2.
What are the key properties of 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole?
1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole has a molecular weight of 367.92 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole is sourced from PubChem (CID 90182659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).