4-(3-bromophenoxy)piperidine;hydrochloride

C11H15BrClNO — CID 45075444

IUPAC4-(3-bromophenoxy)piperidine;hydrochloride
SMILESBrc1cccc(OC2CCNCC2)c1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
InChIKeyHYIUFMKPWZFLKE-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.00
Rot. Bonds2

About 4-(3-bromophenoxy)piperidine;hydrochloride

4-(3-bromophenoxy)piperidine;hydrochloride (PubChem CID 45075444) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 4-(3-bromophenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-bromophenoxy)piperidine;hydrochloride
PubChem CID45075444
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name4-(3-bromophenoxy)piperidine;hydrochloride
SMILESBrc1cccc(OC2CCNCC2)c1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
InChIKeyHYIUFMKPWZFLKE-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(3-bromophenoxy)piperidine;hydrochloride (CID 45075444) is 4-(3-bromophenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(3-bromophenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(3-bromophenoxy)piperidine;hydrochloride is Brc1cccc(OC2CCNCC2)c1.Cl.
What is the InChIKey of 4-(3-bromophenoxy)piperidine;hydrochloride?
The InChIKey is HYIUFMKPWZFLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H.
What are the key properties of 4-(3-bromophenoxy)piperidine;hydrochloride?
4-(3-bromophenoxy)piperidine;hydrochloride has a molecular weight of 292.60 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)piperidine;hydrochloride is sourced from PubChem (CID 45075444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).