1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol

C16H25NO — CID 62550581

IUPAC1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol
SMILESCc1cc(C)c(CC2(O)CCN(C)CC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-9-13(2)15(14(3)10-12)11-16(18)5-7-17(4)8-6-16/h9-10,18H,5-8,11H2,1-4H3
InChIKeyMELXLUFLLYIEJJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.61
Rot. Bonds2

About 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol

1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol (PubChem CID 62550581) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol
PubChem CID62550581
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol
SMILESCc1cc(C)c(CC2(O)CCN(C)CC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-9-13(2)15(14(3)10-12)11-16(18)5-7-17(4)8-6-16/h9-10,18H,5-8,11H2,1-4H3
InChIKeyMELXLUFLLYIEJJ-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol (CID 62550581) is 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol is Cc1cc(C)c(CC2(O)CCN(C)CC2)c(C)c1.
What is the InChIKey of 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol?
The InChIKey is MELXLUFLLYIEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-9-13(2)15(14(3)10-12)11-16(18)5-7-17(4)8-6-16/h9-10,18H,5-8,11H2,1-4H3.
What are the key properties of 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol?
1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol has a molecular weight of 247.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2,4,6-trimethylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 62550581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).