1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine

C15H16BrN3O — CID 115410866

IUPAC1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine
SMILESBrc1cccnc1Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C15H16BrN3O/c16-14-2-1-7-18-15(14)20-13-5-3-12(4-6-13)19-10-8-17-9-11-19/h1-7,17H,8-11H2
InChIKeyVOQCCJAIXXGIAP-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.05
Rot. Bonds3

About 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine

1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine (PubChem CID 115410866) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine.

Molecular Properties

Compound Name1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine
PubChem CID115410866
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine
SMILESBrc1cccnc1Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C15H16BrN3O/c16-14-2-1-7-18-15(14)20-13-5-3-12(4-6-13)19-10-8-17-9-11-19/h1-7,17H,8-11H2
InChIKeyVOQCCJAIXXGIAP-UHFFFAOYSA-N
XLogP3.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine
CID 115410870
1-(4-phenoxyphenyl)piperazine
CID 3017356
5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine
CID 105370183
(4-piperazin-1-ylphenoxy)boronic acid
CID 162076095
5-iodo-2-(4-piperazin-1-ylphenoxy)pyrimidine
CID 116648737
3-bromo-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine
CID 160748973
3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
CID 135246459
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 82513989
5-[(3-bromo-2-pyridinyl)oxy]pyridin-2-amine
CID 135246357
1-[4-(3,4-dimethylphenoxy)phenyl]piperazine
CID 39382281
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine?
The IUPAC name of 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine (CID 115410866) is 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine.
What is the SMILES notation for 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine?
The canonical SMILES for 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine is Brc1cccnc1Oc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine?
The InChIKey is VOQCCJAIXXGIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-14-2-1-7-18-15(14)20-13-5-3-12(4-6-13)19-10-8-17-9-11-19/h1-7,17H,8-11H2.
What are the key properties of 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine?
1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine has a molecular weight of 334.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine is sourced from PubChem (CID 115410866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).