1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol

C20H31NO3 — CID 163543719

IUPAC1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC=Cc1ccc(CC(CO)ON2C(C)(C)CC(O)CC2(C)C)cc1
InChIInChI=1S/C20H31NO3/c1-6-15-7-9-16(10-8-15)11-18(14-22)24-21-19(2,3)12-17(23)13-20(21,4)5/h6-10,17-18,22-23H,1,11-14H2,2-5H3
InChIKeyFDFUBJYCRJDZQV-UHFFFAOYSA-N
MW333.47 g/mol
LogP3.18
Rot. Bonds6

About 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol

1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol (PubChem CID 163543719) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
PubChem CID163543719
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol
SMILESC=Cc1ccc(CC(CO)ON2C(C)(C)CC(O)CC2(C)C)cc1
InChIInChI=1S/C20H31NO3/c1-6-15-7-9-16(10-8-15)11-18(14-22)24-21-19(2,3)12-17(23)13-20(21,4)5/h6-10,17-18,22-23H,1,11-14H2,2-5H3
InChIKeyFDFUBJYCRJDZQV-UHFFFAOYSA-N
XLogP3.18
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol with MolForge

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Related Compounds

1-(1-hydroxypropan-2-yloxy)-2,2,6,6-tetramethylpiperidin-4-ol;styrene
CID 160683791
2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
1-[1-(4-ethenylphenyl)ethoxy]-2,2,6,6-tetramethylpiperidine
CID 102123971
5-(4-ethenylphenyl)-4-[1-(4-ethenylphenyl)-5-hydroxypentan-2-yl]oxypentan-1-ol
CID 68974279
4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol
CID 166781663
1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 88999908
2,2,6,6-tetramethyl-1-(1-phenylsulfanylhex-5-enoxy)piperidin-4-ol
CID 10546693
[2-(4-ethenylphenyl)-2-(2,2,4,6,6-pentamethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
CID 139895201
[1-[1-(4-ethenylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
CID 139879930
[2-(4-ethenylphenyl)-2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyethyl] propan-2-yl carbonate
CID 139895200
2-[(4-ethenylphenyl)methoxy]propan-1-ol
CID 21035602
[1-[1-(4-ethenylphenyl)-2-propan-2-yloxycarbonyloxyethoxy]-2,2,6,6-tetramethylpiperidin-4-yl] acetate
CID 20816556

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol?
The IUPAC name of 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol (CID 163543719) is 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol.
What is the SMILES notation for 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol?
The canonical SMILES for 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol is C=Cc1ccc(CC(CO)ON2C(C)(C)CC(O)CC2(C)C)cc1.
What is the InChIKey of 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol?
The InChIKey is FDFUBJYCRJDZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-6-15-7-9-16(10-8-15)11-18(14-22)24-21-19(2,3)12-17(23)13-20(21,4)5/h6-10,17-18,22-23H,1,11-14H2,2-5H3.
What are the key properties of 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol?
1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol has a molecular weight of 333.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethenylphenyl)-3-hydroxypropan-2-yl]oxy-2,2,6,6-tetramethylpiperidin-4-ol is sourced from PubChem (CID 163543719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).