2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol

C12H18N2O2 — CID 164546047

IUPAC2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol
SMILESCc1cc(C2CCNCC2)cc(NO)c1O
InChIInChI=1S/C12H18N2O2/c1-8-6-10(7-11(14-16)12(8)15)9-2-4-13-5-3-9/h6-7,9,13-16H,2-5H2,1H3
InChIKeyPFFRGUBDDVBLFI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.97
Rot. Bonds2

About 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol

2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol (PubChem CID 164546047) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol
PubChem CID164546047
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol
SMILESCc1cc(C2CCNCC2)cc(NO)c1O
InChIInChI=1S/C12H18N2O2/c1-8-6-10(7-11(14-16)12(8)15)9-2-4-13-5-3-9/h6-7,9,13-16H,2-5H2,1H3
InChIKeyPFFRGUBDDVBLFI-UHFFFAOYSA-N
XLogP1.97
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-methyl-4-piperidin-4-ylphenol
CID 84712705
2,3-dimethyl-5-piperidin-4-ylphenol
CID 117293924
2,3,6-trimethyl-4-piperidin-4-ylphenol
CID 117116552
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide
CID 171365208
2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365207
2-chloro-6-methyl-4-piperidin-3-ylphenol
CID 84690213
N-cyclopropyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365215
2-methyl-4-piperidin-4-ylbenzonitrile
CID 68519777
2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide
CID 171365240
1,7-dimethyl-5-piperidin-4-ylindole
CID 84792358
4-chloro-3,5-dimethyl-2-piperidin-4-ylphenol
CID 84800158

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol?
The IUPAC name of 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol (CID 164546047) is 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol.
What is the SMILES notation for 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol?
The canonical SMILES for 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol is Cc1cc(C2CCNCC2)cc(NO)c1O.
What is the InChIKey of 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol?
The InChIKey is PFFRGUBDDVBLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-10(7-11(14-16)12(8)15)9-2-4-13-5-3-9/h6-7,9,13-16H,2-5H2,1H3.
What are the key properties of 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol?
2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol has a molecular weight of 222.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol is sourced from PubChem (CID 164546047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).