2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol

C11H15BrN2O2 — CID 131624338

IUPAC2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
SMILESCOc1cc([C@H]2CNCCN2)cc(Br)c1O
InChIInChI=1S/C11H15BrN2O2/c1-16-10-5-7(4-8(12)11(10)15)9-6-13-2-3-14-9/h4-5,9,13-15H,2-3,6H2,1H3/t9-/m1/s1
InChIKeySITSPOUTVKITNW-SECBINFHSA-N
MW287.16 g/mol
LogP1.40
Rot. Bonds2

About 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol

2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol (PubChem CID 131624338) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
PubChem CID131624338
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
SMILESCOc1cc([C@H]2CNCCN2)cc(Br)c1O
InChIInChI=1S/C11H15BrN2O2/c1-16-10-5-7(4-8(12)11(10)15)9-6-13-2-3-14-9/h4-5,9,13-15H,2-3,6H2,1H3/t9-/m1/s1
InChIKeySITSPOUTVKITNW-SECBINFHSA-N
XLogP1.40
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol
CID 171259704
2-bromo-6-methoxy-4-[(2R)-1,3-thiazolidin-2-yl]phenol
CID 97288722
2-bromo-4-[(2R)-piperazin-2-yl]phenol
CID 130705473
2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194735
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
[2-methoxy-4-[(2R)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171194561
2-methoxy-4-[(2S)-piperazin-2-yl]benzonitrile
CID 71272457
2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193729

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol (CID 131624338) is 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol is COc1cc([C@H]2CNCCN2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol?
The InChIKey is SITSPOUTVKITNW-SECBINFHSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-16-10-5-7(4-8(12)11(10)15)9-6-13-2-3-14-9/h4-5,9,13-15H,2-3,6H2,1H3/t9-/m1/s1.
What are the key properties of 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol?
2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol has a molecular weight of 287.16 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol is sourced from PubChem (CID 131624338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).