1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine

C19H26BrNOS — CID 19431716

IUPAC1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine
SMILESBrc1csc2cccc(OCCCCCCN3CCCCC3)c12
InChIInChI=1S/C19H26BrNOS/c20-16-15-23-18-10-8-9-17(19(16)18)22-14-7-2-1-4-11-21-12-5-3-6-13-21/h8-10,15H,1-7,11-14H2
InChIKeyZNQJSZARPKPDPL-UHFFFAOYSA-N
MW396.39 g/mol
LogP6.09
Rot. Bonds8

About 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine

1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine (PubChem CID 19431716) has the molecular formula C19H26BrNOS and a molecular weight of 396.39 g/mol. Its IUPAC name is 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine.

Molecular Properties

Compound Name1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine
PubChem CID19431716
Molecular FormulaC19H26BrNOS
Molecular Weight396.39 g/mol
Exact Mass395.09
IUPAC Name1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine
SMILESBrc1csc2cccc(OCCCCCCN3CCCCC3)c12
InChIInChI=1S/C19H26BrNOS/c20-16-15-23-18-10-8-9-17(19(16)18)22-14-7-2-1-4-11-21-12-5-3-6-13-21/h8-10,15H,1-7,11-14H2
InChIKeyZNQJSZARPKPDPL-UHFFFAOYSA-N
XLogP6.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.39
LogP ≤ 56.09
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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Related Compounds

1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]pyrrolidine
CID 19431737
1-[4-(3-bromo-2-methylphenoxy)butyl]piperidine
CID 176718659
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
1-[3-(3-bromo-2-methylphenoxy)propyl]piperidine
CID 163215227
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
CID 31196285
1-[4-(3-bromophenoxy)butyl]piperidine
CID 2297384
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine?
The IUPAC name of 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine (CID 19431716) is 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine.
What is the SMILES notation for 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine?
The canonical SMILES for 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine is Brc1csc2cccc(OCCCCCCN3CCCCC3)c12.
What is the InChIKey of 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine?
The InChIKey is ZNQJSZARPKPDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrNOS/c20-16-15-23-18-10-8-9-17(19(16)18)22-14-7-2-1-4-11-21-12-5-3-6-13-21/h8-10,15H,1-7,11-14H2.
What are the key properties of 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine?
1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine has a molecular weight of 396.39 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-bromo-1-benzothiophen-4-yl)oxy]hexyl]piperidine is sourced from PubChem (CID 19431716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).