2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol

C12H16BrNO2 — CID 131429410

IUPAC2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
SMILESCOc1cc([C@H]2CCCCN2)cc(Br)c1O
InChIInChI=1S/C12H16BrNO2/c1-16-11-7-8(6-9(13)12(11)15)10-4-2-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3/t10-/m1/s1
InChIKeyKAQRLFQXZVMLMJ-SNVBAGLBSA-N
MW286.17 g/mol
LogP2.98
Rot. Bonds2

About 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol

2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol (PubChem CID 131429410) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
PubChem CID131429410
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
SMILESCOc1cc([C@H]2CCCCN2)cc(Br)c1O
InChIInChI=1S/C12H16BrNO2/c1-16-11-7-8(6-9(13)12(11)15)10-4-2-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3/t10-/m1/s1
InChIKeyKAQRLFQXZVMLMJ-SNVBAGLBSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234
2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol
CID 130148506
2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
CID 131624338
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117489094
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117359415
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol (CID 131429410) is 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol is COc1cc([C@H]2CCCCN2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol?
The InChIKey is KAQRLFQXZVMLMJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-16-11-7-8(6-9(13)12(11)15)10-4-2-3-5-14-10/h6-7,10,14-15H,2-5H2,1H3/t10-/m1/s1.
What are the key properties of 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol?
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol has a molecular weight of 286.17 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol is sourced from PubChem (CID 131429410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).