1-[2-(4-bromophenoxy)ethyl]piperidine

C13H18BrNO — CID 867195

IUPAC1-[2-(4-bromophenoxy)ethyl]piperidine
SMILESBrc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C13H18BrNO/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChIKeyPDUKJODPFIFHNK-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.31
Rot. Bonds4

About 1-[2-(4-bromophenoxy)ethyl]piperidine

1-[2-(4-bromophenoxy)ethyl]piperidine (PubChem CID 867195) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[2-(4-bromophenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-bromophenoxy)ethyl]piperidine
PubChem CID867195
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[2-(4-bromophenoxy)ethyl]piperidine
SMILESBrc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C13H18BrNO/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2
InChIKeyPDUKJODPFIFHNK-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-bromophenoxy)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(4-bromophenoxy)ethyl]piperidine (CID 867195) is 1-[2-(4-bromophenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(4-bromophenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(4-bromophenoxy)ethyl]piperidine is Brc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-(4-bromophenoxy)ethyl]piperidine?
The InChIKey is PDUKJODPFIFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-4-6-13(7-5-12)16-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2.
What are the key properties of 1-[2-(4-bromophenoxy)ethyl]piperidine?
1-[2-(4-bromophenoxy)ethyl]piperidine has a molecular weight of 284.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenoxy)ethyl]piperidine is sourced from PubChem (CID 867195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).