1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol

C16H25NO2 — CID 114681408

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
SMILESCc1ccc(C)c(OCCN2CCC(O)C(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-12-4-5-13(2)16(10-12)19-9-8-17-7-6-15(18)14(3)11-17/h4-5,10,14-15,18H,6-9,11H2,1-3H3
InChIKeyZAHPPXKNIXNZFL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol

1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol (PubChem CID 114681408) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
PubChem CID114681408
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
SMILESCc1ccc(C)c(OCCN2CCC(O)C(C)C2)c1
InChIInChI=1S/C16H25NO2/c1-12-4-5-13(2)16(10-12)19-9-8-17-7-6-15(18)14(3)11-17/h4-5,10,14-15,18H,6-9,11H2,1-3H3
InChIKeyZAHPPXKNIXNZFL-UHFFFAOYSA-N
XLogP2.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-amine
CID 61295726
3-[2-(2,5-dimethylphenoxy)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490545
methyl 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxylate
CID 112730693
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
2-[1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728149
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681284
3-[(3S)-1-[2-(2,5-dimethylphenoxy)ethyl]piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 129403708
[4-[2-(2,5-dimethylphenoxy)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102935690
1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681512
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol (CID 114681408) is 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol is Cc1ccc(C)c(OCCN2CCC(O)C(C)C2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol?
The InChIKey is ZAHPPXKNIXNZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-4-5-13(2)16(10-12)19-9-8-17-7-6-15(18)14(3)11-17/h4-5,10,14-15,18H,6-9,11H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol?
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).