1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine

C14H21BrN2O2 — CID 2298410

IUPAC1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine
SMILESBrc1ccccc1OCCOCCN1CCNCC1
InChIInChI=1S/C14H21BrN2O2/c15-13-3-1-2-4-14(13)19-12-11-18-10-9-17-7-5-16-6-8-17/h1-4,16H,5-12H2
InChIKeyVEDXVNPWLDTCRP-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.75
Rot. Bonds7

About 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine

1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine (PubChem CID 2298410) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine
PubChem CID2298410
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine
SMILESBrc1ccccc1OCCOCCN1CCNCC1
InChIInChI=1S/C14H21BrN2O2/c15-13-3-1-2-4-14(13)19-12-11-18-10-9-17-7-5-16-6-8-17/h1-4,16H,5-12H2
InChIKeyVEDXVNPWLDTCRP-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
CID 31196285
1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
CID 82353822
4-(2-bromophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393381
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
1-[3-(2-bromophenoxy)propyl]piperidin-4-one
CID 39452155
1-[3-(2-bromophenoxy)propyl]-3-methylpiperazine;dihydrochloride
CID 170456446
1-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]piperazine
CID 107658281
1-[2-(2-bromophenoxy)ethyl]-4-but-3-ynylpiperazine
CID 84597116
1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperazine
CID 762602
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine (CID 2298410) is 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine is Brc1ccccc1OCCOCCN1CCNCC1.
What is the InChIKey of 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine?
The InChIKey is VEDXVNPWLDTCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c15-13-3-1-2-4-14(13)19-12-11-18-10-9-17-7-5-16-6-8-17/h1-4,16H,5-12H2.
What are the key properties of 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine?
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine has a molecular weight of 329.24 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine is sourced from PubChem (CID 2298410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).