(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride

C16H25ClN2O2 — CID 2882767

IUPAC(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride
SMILESCC1(C)CC(=NO)C(C(O)c2ccccc2)C(C)(C)N1.Cl
InChIInChI=1S/C16H24N2O2.ClH/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;1H
InChIKeyDBMJZGIGLBJDTK-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.14
Rot. Bonds2

About (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride

(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride (PubChem CID 2882767) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride.

Molecular Properties

Compound Name(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride
PubChem CID2882767
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride
SMILESCC1(C)CC(=NO)C(C(O)c2ccccc2)C(C)(C)N1.Cl
InChIInChI=1S/C16H24N2O2.ClH/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;1H
InChIKeyDBMJZGIGLBJDTK-UHFFFAOYSA-N
XLogP3.14
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.14
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

(R)-[(3S)-4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl]-phenylmethanol
CID 129440737
[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
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-5,5-dimethylpyrrolidine-3-carboxamide
CID 166354961
N-benzhydryl-3-methylazetidin-3-amine;hydrochloride
CID 90219677
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
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

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride?
The IUPAC name of (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride (CID 2882767) is (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride.
What is the SMILES notation for (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride?
The canonical SMILES for (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride is CC1(C)CC(=NO)C(C(O)c2ccccc2)C(C)(C)N1.Cl.
What is the InChIKey of (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride?
The InChIKey is DBMJZGIGLBJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/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;1H.
What are the key properties of (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride?
(4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride is sourced from PubChem (CID 2882767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).