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

C15H22BrNO2 — CID 31196285

IUPAC1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
SMILESBrc1ccccc1OCCOCCN1CCCCC1
InChIInChI=1S/C15H22BrNO2/c16-14-6-2-3-7-15(14)19-13-12-18-11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-13H2
InChIKeyGDSYQFWTDMQNOI-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.33
Rot. Bonds7

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

1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine (PubChem CID 31196285) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
PubChem CID31196285
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine
SMILESBrc1ccccc1OCCOCCN1CCCCC1
InChIInChI=1S/C15H22BrNO2/c16-14-6-2-3-7-15(14)19-13-12-18-11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-13H2
InChIKeyGDSYQFWTDMQNOI-UHFFFAOYSA-N
XLogP3.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.33
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-[3-(2-bromophenoxy)propyl]azepane
CID 2195329
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine
CID 2298410
1-[2-(2-bromophenoxy)ethyl]-4-but-3-ynylpiperazine
CID 84597116
1-[3-(3-bromo-2-methylphenoxy)propyl]piperidine
CID 163215227
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[4-(3-bromo-2-methylphenoxy)butyl]piperidine
CID 176718659
1-[3-(2-bromophenoxy)propyl]piperidin-4-one
CID 39452155
1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
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]piperidine?
The IUPAC name of 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine (CID 31196285) is 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine is Brc1ccccc1OCCOCCN1CCCCC1.
What is the InChIKey of 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine?
The InChIKey is GDSYQFWTDMQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c16-14-6-2-3-7-15(14)19-13-12-18-11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-13H2.
What are the key properties of 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine?
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine has a molecular weight of 328.25 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperidine is sourced from PubChem (CID 31196285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).