5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride

C17H28ClNO3 — CID 69043813

IUPAC5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1ccc(CC2CC(C)(C)N(O)C(C)(C)C2)cc1O.Cl
InChIInChI=1S/C17H27NO3.ClH/c1-16(2)10-13(11-17(3,4)18(16)20)8-12-6-7-15(21-5)14(19)9-12;/h6-7,9,13,19-20H,8,10-11H2,1-5H3;1H
InChIKeyVQAQCHXNUDPIBL-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.02
Rot. Bonds3

About 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride

5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride (PubChem CID 69043813) has the molecular formula C17H28ClNO3 and a molecular weight of 329.87 g/mol. Its IUPAC name is 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride
PubChem CID69043813
Molecular FormulaC17H28ClNO3
Molecular Weight329.87 g/mol
Exact Mass329.18
IUPAC Name5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride
SMILESCOc1ccc(CC2CC(C)(C)N(O)C(C)(C)C2)cc1O.Cl
InChIInChI=1S/C17H27NO3.ClH/c1-16(2)10-13(11-17(3,4)18(16)20)8-12-6-7-15(21-5)14(19)9-12;/h6-7,9,13,19-20H,8,10-11H2,1-5H3;1H
InChIKeyVQAQCHXNUDPIBL-UHFFFAOYSA-N
XLogP4.02
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 170441726
2-methoxy-5-[[(3R)-5,6,7-trimethoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol
CID 155755652
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
(3S,4S)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 11210543
5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 2752280
5-(aminomethyl)-2-methoxyphenol
CID 1132998
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
2-methoxy-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenol
CID 102746757
5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol
CID 155755624
5-[[(4,4-dimethylcyclohexyl)-methylamino]methyl]-2-methoxyphenol
CID 82983306
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride (CID 69043813) is 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride is COc1ccc(CC2CC(C)(C)N(O)C(C)(C)C2)cc1O.Cl.
What is the InChIKey of 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride?
The InChIKey is VQAQCHXNUDPIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.ClH/c1-16(2)10-13(11-17(3,4)18(16)20)8-12-6-7-15(21-5)14(19)9-12;/h6-7,9,13,19-20H,8,10-11H2,1-5H3;1H.
What are the key properties of 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride?
5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 69043813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).