2-bromo-4-[(2R)-piperazin-2-yl]phenol

C10H13BrN2O — CID 130705473

IUPAC2-bromo-4-[(2R)-piperazin-2-yl]phenol
SMILESOc1ccc([C@@H]2CNCCN2)cc1Br
InChIInChI=1S/C10H13BrN2O/c11-8-5-7(1-2-10(8)14)9-6-12-3-4-13-9/h1-2,5,9,12-14H,3-4,6H2/t9-/m0/s1
InChIKeyNLXDPXOHARQBSJ-VIFPVBQESA-N
MW257.13 g/mol
LogP1.39
Rot. Bonds1

About 2-bromo-4-[(2R)-piperazin-2-yl]phenol

2-bromo-4-[(2R)-piperazin-2-yl]phenol (PubChem CID 130705473) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-4-[(2R)-piperazin-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(2R)-piperazin-2-yl]phenol
PubChem CID130705473
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-bromo-4-[(2R)-piperazin-2-yl]phenol
SMILESOc1ccc([C@@H]2CNCCN2)cc1Br
InChIInChI=1S/C10H13BrN2O/c11-8-5-7(1-2-10(8)14)9-6-12-3-4-13-9/h1-2,5,9,12-14H,3-4,6H2/t9-/m0/s1
InChIKeyNLXDPXOHARQBSJ-VIFPVBQESA-N
XLogP1.39
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(2R)-piperazin-2-yl]phenol
CID 130910870
2-fluoro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193540
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
2-bromo-4-morpholin-2-ylphenol
CID 82623546
2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
CID 131624338
ethane;methyl 2-hydroxy-4-piperazin-2-ylbenzoate
CID 171840246
2-(1,3-benzodioxol-5-yl)piperazine
CID 2771771
(2R)-2-(4-fluoro-3-methylphenyl)piperazine;hydrochloride
CID 171194333
2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193729
2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194735

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2R)-piperazin-2-yl]phenol?
The IUPAC name of 2-bromo-4-[(2R)-piperazin-2-yl]phenol (CID 130705473) is 2-bromo-4-[(2R)-piperazin-2-yl]phenol.
What is the SMILES notation for 2-bromo-4-[(2R)-piperazin-2-yl]phenol?
The canonical SMILES for 2-bromo-4-[(2R)-piperazin-2-yl]phenol is Oc1ccc([C@@H]2CNCCN2)cc1Br.
What is the InChIKey of 2-bromo-4-[(2R)-piperazin-2-yl]phenol?
The InChIKey is NLXDPXOHARQBSJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-8-5-7(1-2-10(8)14)9-6-12-3-4-13-9/h1-2,5,9,12-14H,3-4,6H2/t9-/m0/s1.
What are the key properties of 2-bromo-4-[(2R)-piperazin-2-yl]phenol?
2-bromo-4-[(2R)-piperazin-2-yl]phenol has a molecular weight of 257.13 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2R)-piperazin-2-yl]phenol is sourced from PubChem (CID 130705473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).