1-[4-(2-bromophenoxy)butyl]piperazine

C14H21BrN2O — CID 2944247

IUPAC1-[4-(2-bromophenoxy)butyl]piperazine
SMILESBrc1ccccc1OCCCCN1CCNCC1
InChIInChI=1S/C14H21BrN2O/c15-13-5-1-2-6-14(13)18-12-4-3-9-17-10-7-16-8-11-17/h1-2,5-6,16H,3-4,7-12H2
InChIKeyWEQLRBZQVOLTTK-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.51
Rot. Bonds6

About 1-[4-(2-bromophenoxy)butyl]piperazine

1-[4-(2-bromophenoxy)butyl]piperazine (PubChem CID 2944247) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[4-(2-bromophenoxy)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(2-bromophenoxy)butyl]piperazine
PubChem CID2944247
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[4-(2-bromophenoxy)butyl]piperazine
SMILESBrc1ccccc1OCCCCN1CCNCC1
InChIInChI=1S/C14H21BrN2O/c15-13-5-1-2-6-14(13)18-12-4-3-9-17-10-7-16-8-11-17/h1-2,5-6,16H,3-4,7-12H2
InChIKeyWEQLRBZQVOLTTK-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.51
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

1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine
CID 2298410
4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
1-[3-(2-bromophenoxy)propyl]piperidin-4-one
CID 39452155
1-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1-[3-(2-bromophenoxy)propyl]-3-methylpiperazine;dihydrochloride
CID 170456446
1-[4-(2,5-dichlorophenoxy)butyl]piperazine
CID 2299434
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
CID 31196285
1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
CID 82353822
1-(3-phenoxypropyl)piperazine
CID 2760351

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromophenoxy)butyl]piperazine?
The IUPAC name of 1-[4-(2-bromophenoxy)butyl]piperazine (CID 2944247) is 1-[4-(2-bromophenoxy)butyl]piperazine.
What is the SMILES notation for 1-[4-(2-bromophenoxy)butyl]piperazine?
The canonical SMILES for 1-[4-(2-bromophenoxy)butyl]piperazine is Brc1ccccc1OCCCCN1CCNCC1.
What is the InChIKey of 1-[4-(2-bromophenoxy)butyl]piperazine?
The InChIKey is WEQLRBZQVOLTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c15-13-5-1-2-6-14(13)18-12-4-3-9-17-10-7-16-8-11-17/h1-2,5-6,16H,3-4,7-12H2.
What are the key properties of 1-[4-(2-bromophenoxy)butyl]piperazine?
1-[4-(2-bromophenoxy)butyl]piperazine has a molecular weight of 313.24 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromophenoxy)butyl]piperazine is sourced from PubChem (CID 2944247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).