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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Related Compounds

1-methyl-3-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-3-ol
CID 62977084
4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol
CID 114930983
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 64514526
2,2-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-ol
CID 79863695
3-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclobutan-1-ol
CID 103564047
3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 62977270
4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol
CID 60893357
methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929803
4-[(4-tert-butylphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146689
4-(aminooxymethyl)-1-methylpiperidin-4-ol
CID 105431438
1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine
CID 80603495
1-[(2,4,6-trimethylphenyl)methyl]cycloheptan-1-amine
CID 55185820

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).