2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol

C15H23NO — CID 117117997

IUPAC2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
SMILESCc1cc(CC2CCCNC2)c(C)c(C)c1O
InChIInChI=1S/C15H23NO/c1-10-7-14(11(2)12(3)15(10)17)8-13-5-4-6-16-9-13/h7,13,16-17H,4-6,8-9H2,1-3H3
InChIKeyFTQUAWJRNSNQFJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.86
Rot. Bonds2

About 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol

2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol (PubChem CID 117117997) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
PubChem CID117117997
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
SMILESCc1cc(CC2CCCNC2)c(C)c(C)c1O
InChIInChI=1S/C15H23NO/c1-10-7-14(11(2)12(3)15(10)17)8-13-5-4-6-16-9-13/h7,13,16-17H,4-6,8-9H2,1-3H3
InChIKeyFTQUAWJRNSNQFJ-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine
CID 117335200
2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
2-bromo-5-methyl-4-(piperidin-3-ylmethyl)phenol
CID 84812910
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117999
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
5-bromo-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 84813511
2,4-difluoro-6-(piperidin-3-ylmethyl)phenol
CID 84791352
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol (CID 117117997) is 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol is Cc1cc(CC2CCCNC2)c(C)c(C)c1O.
What is the InChIKey of 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol?
The InChIKey is FTQUAWJRNSNQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-14(11(2)12(3)15(10)17)8-13-5-4-6-16-9-13/h7,13,16-17H,4-6,8-9H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol?
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol has a molecular weight of 233.35 g/mol, XLogP of 2.86, 2 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-3-ylmethyl)phenol is sourced from PubChem (CID 117117997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).