4-[2-(3-bromophenyl)ethoxy]piperidine

C13H18BrNO — CID 115070549

IUPAC4-[2-(3-bromophenyl)ethoxy]piperidine
SMILESBrc1cccc(CCOC2CCNCC2)c1
InChIInChI=1S/C13H18BrNO/c14-12-3-1-2-11(10-12)6-9-16-13-4-7-15-8-5-13/h1-3,10,13,15H,4-9H2
InChIKeyFIKJZZUWNCWNGQ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.76
Rot. Bonds4

About 4-[2-(3-bromophenyl)ethoxy]piperidine

4-[2-(3-bromophenyl)ethoxy]piperidine (PubChem CID 115070549) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)ethoxy]piperidine
PubChem CID115070549
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-[2-(3-bromophenyl)ethoxy]piperidine
SMILESBrc1cccc(CCOC2CCNCC2)c1
InChIInChI=1S/C13H18BrNO/c14-12-3-1-2-11(10-12)6-9-16-13-4-7-15-8-5-13/h1-3,10,13,15H,4-9H2
InChIKeyFIKJZZUWNCWNGQ-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)ethoxy]piperidine?
The IUPAC name of 4-[2-(3-bromophenyl)ethoxy]piperidine (CID 115070549) is 4-[2-(3-bromophenyl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(3-bromophenyl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(3-bromophenyl)ethoxy]piperidine is Brc1cccc(CCOC2CCNCC2)c1.
What is the InChIKey of 4-[2-(3-bromophenyl)ethoxy]piperidine?
The InChIKey is FIKJZZUWNCWNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-3-1-2-11(10-12)6-9-16-13-4-7-15-8-5-13/h1-3,10,13,15H,4-9H2.
What are the key properties of 4-[2-(3-bromophenyl)ethoxy]piperidine?
4-[2-(3-bromophenyl)ethoxy]piperidine has a molecular weight of 284.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)ethoxy]piperidine is sourced from PubChem (CID 115070549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).