4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

C18H29NO3 — CID 170441726

IUPAC4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(OC)c(CC2CC(C)(C)N(O)C(C)(C)C2)c1
InChIInChI=1S/C18H29NO3/c1-17(2)11-13(12-18(3,4)19(17)20)9-14-10-15(21-5)7-8-16(14)22-6/h7-8,10,13,20H,9,11-12H2,1-6H3
InChIKeyISLGMUDXPANRKO-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.90
Rot. Bonds4

About 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine

4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (PubChem CID 170441726) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
PubChem CID170441726
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(OC)c(CC2CC(C)(C)N(O)C(C)(C)C2)c1
InChIInChI=1S/C18H29NO3/c1-17(2)11-13(12-18(3,4)19(17)20)9-14-10-15(21-5)7-8-16(14)22-6/h7-8,10,13,20H,9,11-12H2,1-6H3
InChIKeyISLGMUDXPANRKO-UHFFFAOYSA-N
XLogP3.90
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride
CID 69043813
N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635129
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
CID 63282227
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
[1-(2,4-dimethoxyphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018796
6-[(2,5-dimethoxyphenyl)methyl]-1,4-oxazepane
CID 82297834
1-[1-[(2,5-dimethoxyphenyl)methyl]cyclopropyl]ethanone
CID 95450370
1-[(2R)-3-[(2,5-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 42564066
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
4-[3-fluoro-4-(2-fluoro-4-methoxyphenyl)phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 134488795
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine (CID 170441726) is 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is COc1ccc(OC)c(CC2CC(C)(C)N(O)C(C)(C)C2)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is ISLGMUDXPANRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-17(2)11-13(12-18(3,4)19(17)20)9-14-10-15(21-5)7-8-16(14)22-6/h7-8,10,13,20H,9,11-12H2,1-6H3.
What are the key properties of 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine?
4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 307.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyphenyl)methyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 170441726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).