3-(4-piperazin-1-ylbutyl)-1H-indole

C16H23N3 — CID 95465204

IUPAC3-(4-piperazin-1-ylbutyl)-1H-indole
SMILESc1ccc2c(CCCCN3CCNCC3)c[nH]c2c1
InChIInChI=1S/C16H23N3/c1-2-7-16-15(6-1)14(13-18-16)5-3-4-10-19-11-8-17-9-12-19/h1-2,6-7,13,17-18H,3-5,8-12H2
InChIKeyQYXDWAKEXSQZGJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.40
Rot. Bonds5

About 3-(4-piperazin-1-ylbutyl)-1H-indole

3-(4-piperazin-1-ylbutyl)-1H-indole (PubChem CID 95465204) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(4-piperazin-1-ylbutyl)-1H-indole.

Molecular Properties

Compound Name3-(4-piperazin-1-ylbutyl)-1H-indole
PubChem CID95465204
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(4-piperazin-1-ylbutyl)-1H-indole
SMILESc1ccc2c(CCCCN3CCNCC3)c[nH]c2c1
InChIInChI=1S/C16H23N3/c1-2-7-16-15(6-1)14(13-18-16)5-3-4-10-19-11-8-17-9-12-19/h1-2,6-7,13,17-18H,3-5,8-12H2
InChIKeyQYXDWAKEXSQZGJ-UHFFFAOYSA-N
XLogP2.40
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole
CID 135178455
3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole
CID 86678034
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperazin-1-ylbutyl)-1H-indole?
The IUPAC name of 3-(4-piperazin-1-ylbutyl)-1H-indole (CID 95465204) is 3-(4-piperazin-1-ylbutyl)-1H-indole.
What is the SMILES notation for 3-(4-piperazin-1-ylbutyl)-1H-indole?
The canonical SMILES for 3-(4-piperazin-1-ylbutyl)-1H-indole is c1ccc2c(CCCCN3CCNCC3)c[nH]c2c1.
What is the InChIKey of 3-(4-piperazin-1-ylbutyl)-1H-indole?
The InChIKey is QYXDWAKEXSQZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-7-16-15(6-1)14(13-18-16)5-3-4-10-19-11-8-17-9-12-19/h1-2,6-7,13,17-18H,3-5,8-12H2.
What are the key properties of 3-(4-piperazin-1-ylbutyl)-1H-indole?
3-(4-piperazin-1-ylbutyl)-1H-indole has a molecular weight of 257.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperazin-1-ylbutyl)-1H-indole is sourced from PubChem (CID 95465204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).