3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid

C17H25NO3 — CID 84755647

IUPAC3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid
SMILESCC(C)c1ccccc1OC1CCCN(CCC(=O)O)C1
InChIInChI=1S/C17H25NO3/c1-13(2)15-7-3-4-8-16(15)21-14-6-5-10-18(12-14)11-9-17(19)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyDAXCLMKZXGGKNZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.13
Rot. Bonds6

About 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid

3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid (PubChem CID 84755647) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid
PubChem CID84755647
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid
SMILESCC(C)c1ccccc1OC1CCCN(CCC(=O)O)C1
InChIInChI=1S/C17H25NO3/c1-13(2)15-7-3-4-8-16(15)21-14-6-5-10-18(12-14)11-9-17(19)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,19,20)
InChIKeyDAXCLMKZXGGKNZ-UHFFFAOYSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
CID 84755639
3-[3-(2,4-dimethylphenoxy)piperidin-1-yl]propanoic acid
CID 84755635
3-[3-(2,6-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 84755674
3-[3-(3-chlorophenoxy)piperidin-1-yl]propanoic acid
CID 84755659
3-[3-(3,4-difluorophenoxy)piperidin-1-yl]propanoic acid
CID 84755669
3-[(3S)-3-(3,4-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 124704526
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid
CID 84755666
3-[3-(2-fluoro-4-nitrophenoxy)piperidin-1-yl]propanoic acid
CID 84755657
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755346
phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone
CID 59577311
3-(2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79619454

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid (CID 84755647) is 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid is CC(C)c1ccccc1OC1CCCN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid?
The InChIKey is DAXCLMKZXGGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)15-7-3-4-8-16(15)21-14-6-5-10-18(12-14)11-9-17(19)20/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid?
3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 84755647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).