(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C15H21NO3 — CID 107689677

IUPAC(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C15H21NO3/c1-9-7-10(2)11(3)16(8-9)15(19)14-12(17)5-4-6-13(14)18/h4-6,9-11,17-18H,7-8H2,1-3H3
InChIKeyMBNUWZPKGBZHGB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.60
Rot. Bonds1

About (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 107689677) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID107689677
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2c(O)cccc2O)C1
InChIInChI=1S/C15H21NO3/c1-9-7-10(2)11(3)16(8-9)15(19)14-12(17)5-4-6-13(14)18/h4-6,9-11,17-18H,7-8H2,1-3H3
InChIKeyMBNUWZPKGBZHGB-UHFFFAOYSA-N
XLogP2.60
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103274732
(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593572
(3-iodophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593400
(6-fluoro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592943
(6-chloro-2-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114592936
(3-hydroxy-4-nitrophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103280777
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107690384
(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591861
[4-(ethylamino)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596549
(2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone
CID 167803355
[3-(3-aminoprop-1-ynyl)phenyl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594692
(5-hydroxy-2-nitrophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107076691

Frequently Asked Questions

What is the IUPAC name of (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 107689677) is (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2c(O)cccc2O)C1.
What is the InChIKey of (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is MBNUWZPKGBZHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-7-10(2)11(3)16(8-9)15(19)14-12(17)5-4-6-13(14)18/h4-6,9-11,17-18H,7-8H2,1-3H3.
What are the key properties of (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107689677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).