4-(4-bromophenoxy)piperidine

C11H14BrNO — CID 12645566

IUPAC4-(4-bromophenoxy)piperidine
SMILESBrc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C11H14BrNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKeyKELAIWLMVFYRJD-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.58
Rot. Bonds2

About 4-(4-bromophenoxy)piperidine

4-(4-bromophenoxy)piperidine (PubChem CID 12645566) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-(4-bromophenoxy)piperidine.

Molecular Properties

Compound Name4-(4-bromophenoxy)piperidine
PubChem CID12645566
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-(4-bromophenoxy)piperidine
SMILESBrc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C11H14BrNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKeyKELAIWLMVFYRJD-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)piperidine?
The IUPAC name of 4-(4-bromophenoxy)piperidine (CID 12645566) is 4-(4-bromophenoxy)piperidine.
What is the SMILES notation for 4-(4-bromophenoxy)piperidine?
The canonical SMILES for 4-(4-bromophenoxy)piperidine is Brc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 4-(4-bromophenoxy)piperidine?
The InChIKey is KELAIWLMVFYRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2.
What are the key properties of 4-(4-bromophenoxy)piperidine?
4-(4-bromophenoxy)piperidine has a molecular weight of 256.14 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)piperidine is sourced from PubChem (CID 12645566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).