4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol

C16H25NO — CID 113225380

IUPAC4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol
SMILESCCC1CCN(Cc2cc(C)c(O)c(C)c2)CC1
InChIInChI=1S/C16H25NO/c1-4-14-5-7-17(8-6-14)11-15-9-12(2)16(18)13(3)10-15/h9-10,14,18H,4-8,11H2,1-3H3
InChIKeyOCDJRYZTTUKTHB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.63
Rot. Bonds3

About 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol

4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol (PubChem CID 113225380) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol
PubChem CID113225380
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol
SMILESCCC1CCN(Cc2cc(C)c(O)c(C)c2)CC1
InChIInChI=1S/C16H25NO/c1-4-14-5-7-17(8-6-14)11-15-9-12(2)16(18)13(3)10-15/h9-10,14,18H,4-8,11H2,1-3H3
InChIKeyOCDJRYZTTUKTHB-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
CID 82985669
2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 78907234
3-methyl-5-(pyrrolidin-1-ylmethyl)benzene-1,2-diol
CID 91439677
2-[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]acetic acid
CID 65055872
ethyl 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazine-1-carboxylate
CID 103600819
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54971109
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
(3R,4R)-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 29211765
2,6-dimethyl-4-[(3-methylpiperazin-1-yl)methyl]phenol
CID 65417223

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol (CID 113225380) is 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol is CCC1CCN(Cc2cc(C)c(O)c(C)c2)CC1.
What is the InChIKey of 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol?
The InChIKey is OCDJRYZTTUKTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14-5-7-17(8-6-14)11-15-9-12(2)16(18)13(3)10-15/h9-10,14,18H,4-8,11H2,1-3H3.
What are the key properties of 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol?
4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol has a molecular weight of 247.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperidin-1-yl)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 113225380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).