1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine

C16H25NO — CID 58154732

IUPAC1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1ccccc1OCCN1CCCCC1
InChIInChI=1S/C16H25NO/c1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyZLUMXHSVMHORRD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine

1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine (PubChem CID 58154732) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
PubChem CID58154732
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
SMILESCC(C)c1ccccc1OCCN1CCCCC1
InChIInChI=1S/C16H25NO/c1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
InChIKeyZLUMXHSVMHORRD-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 55190771
(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 78937362

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine?
The IUPAC name of 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine (CID 58154732) is 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine.
What is the SMILES notation for 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine?
The canonical SMILES for 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine is CC(C)c1ccccc1OCCN1CCCCC1.
What is the InChIKey of 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine?
The InChIKey is ZLUMXHSVMHORRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine?
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine is sourced from PubChem (CID 58154732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).