2,3,6-trimethyl-4-piperidin-4-ylphenol

C14H21NO — CID 117116552

IUPAC2,3,6-trimethyl-4-piperidin-4-ylphenol
SMILESCc1cc(C2CCNCC2)c(C)c(C)c1O
InChIInChI=1S/C14H21NO/c1-9-8-13(10(2)11(3)14(9)16)12-4-6-15-7-5-12/h8,12,15-16H,4-7H2,1-3H3
InChIKeyKEXKNXPITMEWON-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.78
Rot. Bonds1

About 2,3,6-trimethyl-4-piperidin-4-ylphenol

2,3,6-trimethyl-4-piperidin-4-ylphenol (PubChem CID 117116552) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-piperidin-4-ylphenol.

Molecular Properties

Compound Name2,3,6-trimethyl-4-piperidin-4-ylphenol
PubChem CID117116552
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,3,6-trimethyl-4-piperidin-4-ylphenol
SMILESCc1cc(C2CCNCC2)c(C)c(C)c1O
InChIInChI=1S/C14H21NO/c1-9-8-13(10(2)11(3)14(9)16)12-4-6-15-7-5-12/h8,12,15-16H,4-7H2,1-3H3
InChIKeyKEXKNXPITMEWON-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-5-piperidin-4-ylbenzene-1,2-diol
CID 117316359
4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
2-fluoro-3-methoxy-6-methyl-4-piperidin-4-ylphenol
CID 84799689
2-bromo-6-fluoro-3-methyl-5-piperidin-4-ylphenol
CID 117465152
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
2-bromo-6-methyl-4-piperidin-4-ylphenol
CID 84712705
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
2,3-dimethyl-5-piperidin-4-ylphenol
CID 117293924
2-ethyl-5-methyl-4-piperidin-4-ylphenol
CID 117313060
4-chloro-2-methyl-6-pyrrolidin-3-ylphenol
CID 117302392
2-(hydroxyamino)-6-methyl-4-piperidin-4-ylphenol
CID 164546047

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-piperidin-4-ylphenol?
The IUPAC name of 2,3,6-trimethyl-4-piperidin-4-ylphenol (CID 117116552) is 2,3,6-trimethyl-4-piperidin-4-ylphenol.
What is the SMILES notation for 2,3,6-trimethyl-4-piperidin-4-ylphenol?
The canonical SMILES for 2,3,6-trimethyl-4-piperidin-4-ylphenol is Cc1cc(C2CCNCC2)c(C)c(C)c1O.
What is the InChIKey of 2,3,6-trimethyl-4-piperidin-4-ylphenol?
The InChIKey is KEXKNXPITMEWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-8-13(10(2)11(3)14(9)16)12-4-6-15-7-5-12/h8,12,15-16H,4-7H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-4-piperidin-4-ylphenol?
2,3,6-trimethyl-4-piperidin-4-ylphenol has a molecular weight of 219.33 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-4-piperidin-4-ylphenol is sourced from PubChem (CID 117116552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).