4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol

C11H15FN2O2 — CID 171259704

IUPAC4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol
SMILESCOc1cc(F)cc([C@@H]2CNCCN2)c1O
InChIInChI=1S/C11H15FN2O2/c1-16-10-5-7(12)4-8(11(10)15)9-6-13-2-3-14-9/h4-5,9,13-15H,2-3,6H2,1H3/t9-/m0/s1
InChIKeyDIZZSMMSLFVVQU-VIFPVBQESA-N
MW226.25 g/mol
LogP0.77
Rot. Bonds2

About 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol

4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol (PubChem CID 171259704) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol
PubChem CID171259704
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol
SMILESCOc1cc(F)cc([C@@H]2CNCCN2)c1O
InChIInChI=1S/C11H15FN2O2/c1-16-10-5-7(12)4-8(11(10)15)9-6-13-2-3-14-9/h4-5,9,13-15H,2-3,6H2,1H3/t9-/m0/s1
InChIKeyDIZZSMMSLFVVQU-VIFPVBQESA-N
XLogP0.77
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-difluoro-4-methoxyphenyl)piperazine
CID 116856206
2-bromo-6-methoxy-4-[(2S)-piperazin-2-yl]phenol
CID 131624338
2-[(2S)-aziridin-2-yl]-6-methoxy-4-methylphenol
CID 55262437
4-bromo-2,3-difluoro-6-[(2S)-piperazin-2-yl]phenol
CID 131292726
4,5-dimethoxy-2-[(2R)-piperazin-2-yl]benzoic acid
CID 165348809
(2R)-2-(2-fluoro-4-methoxyphenyl)piperazine
CID 171194214
(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
2-ethoxy-6-[(2S)-piperazin-2-yl]phenol
CID 171194105
2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine
CID 82302997
3-fluoro-4-hydroxy-5-[(2R)-piperazin-2-yl]benzoic acid
CID 171259706
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)piperazine
CID 82296694

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol?
The IUPAC name of 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol (CID 171259704) is 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol.
What is the SMILES notation for 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol?
The canonical SMILES for 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol is COc1cc(F)cc([C@@H]2CNCCN2)c1O.
What is the InChIKey of 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol?
The InChIKey is DIZZSMMSLFVVQU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-16-10-5-7(12)4-8(11(10)15)9-6-13-2-3-14-9/h4-5,9,13-15H,2-3,6H2,1H3/t9-/m0/s1.
What are the key properties of 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol?
4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol has a molecular weight of 226.25 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-6-[(2R)-piperazin-2-yl]phenol is sourced from PubChem (CID 171259704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).