1-(2-bromophenoxy)piperidine

C11H14BrNO — CID 69070493

IUPAC1-(2-bromophenoxy)piperidine
SMILESBrc1ccccc1ON1CCCCC1
InChIInChI=1S/C11H14BrNO/c12-10-6-2-3-7-11(10)14-13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
InChIKeyKDCLZDGWVHPIEE-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.23
Rot. Bonds2

About 1-(2-bromophenoxy)piperidine

1-(2-bromophenoxy)piperidine (PubChem CID 69070493) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(2-bromophenoxy)piperidine.

Molecular Properties

Compound Name1-(2-bromophenoxy)piperidine
PubChem CID69070493
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(2-bromophenoxy)piperidine
SMILESBrc1ccccc1ON1CCCCC1
InChIInChI=1S/C11H14BrNO/c12-10-6-2-3-7-11(10)14-13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
InChIKeyKDCLZDGWVHPIEE-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenoxy)piperidine?
The IUPAC name of 1-(2-bromophenoxy)piperidine (CID 69070493) is 1-(2-bromophenoxy)piperidine.
What is the SMILES notation for 1-(2-bromophenoxy)piperidine?
The canonical SMILES for 1-(2-bromophenoxy)piperidine is Brc1ccccc1ON1CCCCC1.
What is the InChIKey of 1-(2-bromophenoxy)piperidine?
The InChIKey is KDCLZDGWVHPIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-6-2-3-7-11(10)14-13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 1-(2-bromophenoxy)piperidine?
1-(2-bromophenoxy)piperidine has a molecular weight of 256.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenoxy)piperidine is sourced from PubChem (CID 69070493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).