(R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol

C16H24N2O2 — CID 129440737

IUPAC(R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol
SMILESCC1(C)CC(=NO)[C@@H]([C@@H](O)c2ccccc2)C(C)(C)N1
InChIInChI=1S/C16H24N2O2/c1-15(2)10-12(17-20)13(16(3,4)18-15)14(19)11-8-6-5-7-9-11/h5-9,13-14,18-20H,10H2,1-4H3/t13-,14-/m0/s1
InChIKeyVGFIOZVWVYMGPY-KBPBESRZSA-N
MW276.38 g/mol
LogP2.72
Rot. Bonds2

About (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol

(R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol (PubChem CID 129440737) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol
PubChem CID129440737
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol
SMILESCC1(C)CC(=NO)[C@@H]([C@@H](O)c2ccccc2)C(C)(C)N1
InChIInChI=1S/C16H24N2O2/c1-15(2)10-12(17-20)13(16(3,4)18-15)14(19)11-8-6-5-7-9-11/h5-9,13-14,18-20H,10H2,1-4H3/t13-,14-/m0/s1
InChIKeyVGFIOZVWVYMGPY-KBPBESRZSA-N
XLogP2.72
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride
CID 2882767
[4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol
CID 4280756
3-(2-hydroxy-2-phenylethyl)-2,2,6,6-tetramethylpiperidin-4-one
CID 11140338
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-phenylmethanol
CID 162391375
(3R)-3-[(S)-hydroxy(phenyl)methyl]-2,2,6,6-tetramethyloxan-4-one
CID 135014214
methyl (2R,3R)-3-[(R)-hydroxy(phenyl)methyl]-2-methyloxirane-2-carboxylate
CID 139260373
dimethyl (3R)-3-[(S)-hydroxy(phenyl)methyl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11392540
dimethyl 3-[(R)-hydroxy(phenyl)methyl]-4-methylidenecyclopentane-1,1-dicarboxylate
CID 101107147
[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
CID 101194740
3-[furan-2-yl(hydroxy)methyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 23823128
1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424524
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076

Frequently Asked Questions

What is the IUPAC name of (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol?
The IUPAC name of (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol (CID 129440737) is (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol?
The canonical SMILES for (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol is CC1(C)CC(=NO)[C@@H]([C@@H](O)c2ccccc2)C(C)(C)N1.
What is the InChIKey of (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol?
The InChIKey is VGFIOZVWVYMGPY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2)10-12(17-20)13(16(3,4)18-15)14(19)11-8-6-5-7-9-11/h5-9,13-14,18-20H,10H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol?
(R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol has a molecular weight of 276.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol is sourced from PubChem (CID 129440737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).