[4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol

C16H24N2O2 — CID 4280756

IUPAC[4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol
SMILESCC1(C)C=C(NO)C(C(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/h5-10,13-14,17-20H,1-4H3
InChIKeyQISHPINIPGRAIC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.36
Rot. Bonds3

About [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol

[4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol (PubChem CID 4280756) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol
PubChem CID4280756
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol
SMILESCC1(C)C=C(NO)C(C(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/h5-10,13-14,17-20H,1-4H3
InChIKeyQISHPINIPGRAIC-UHFFFAOYSA-N
XLogP2.36
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-hydroxyimino-2,2,6,6-tetramethylpiperidin-3-yl)-phenylmethanol;hydrochloride
CID 2882767
benzhydryl 3,3-dimethylaziridine-2-carboxylate
CID 162933415
(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
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
CID 101194740
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
(1S)-1-phenylethanol
CID 157125626
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol?
The IUPAC name of [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol (CID 4280756) is [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol.
What is the SMILES notation for [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol?
The canonical SMILES for [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol is CC1(C)C=C(NO)C(C(O)c2ccccc2)C(C)(C)N1.
What is the InChIKey of [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol?
The InChIKey is QISHPINIPGRAIC-UHFFFAOYSA-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/h5-10,13-14,17-20H,1-4H3.
What are the key properties of [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol?
[4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol has a molecular weight of 276.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyamino)-2,2,6,6-tetramethyl-1,3-dihydropyridin-3-yl]-phenylmethanol is sourced from PubChem (CID 4280756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).