3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid

C15H21NO3 — CID 117239808

IUPAC3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
SMILESCc1ccc(OCC(C(=O)O)C2CCNCC2)cc1
InChIInChI=1S/C15H21NO3/c1-11-2-4-13(5-3-11)19-10-14(15(17)18)12-6-8-16-9-7-12/h2-5,12,14,16H,6-10H2,1H3,(H,17,18)
InChIKeyBESULQRKFOPPRQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds5

About 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid

3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid (PubChem CID 117239808) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
PubChem CID117239808
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
SMILESCc1ccc(OCC(C(=O)O)C2CCNCC2)cc1
InChIInChI=1S/C15H21NO3/c1-11-2-4-13(5-3-11)19-10-14(15(17)18)12-6-8-16-9-7-12/h2-5,12,14,16H,6-10H2,1H3,(H,17,18)
InChIKeyBESULQRKFOPPRQ-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239821
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239763
1-(4-methylphenoxy)-3-piperidin-4-ylpropan-2-ol
CID 135249199
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
3-(4-chlorophenoxy)-2-(oxan-4-yl)propanoic acid
CID 117239787
2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239836
N-[1-(4-methylphenoxy)propan-2-yl]-2-piperidin-4-ylacetamide
CID 61171094
2-(1,1-dioxothian-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239796
2-(1,1-dioxothian-4-yl)-3-phenoxypropanoic acid
CID 117239668
2-chloro-3-(4-methylphenoxy)propanoic acid
CID 22378514

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid?
The IUPAC name of 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid (CID 117239808) is 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid?
The canonical SMILES for 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid is Cc1ccc(OCC(C(=O)O)C2CCNCC2)cc1.
What is the InChIKey of 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid?
The InChIKey is BESULQRKFOPPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-2-4-13(5-3-11)19-10-14(15(17)18)12-6-8-16-9-7-12/h2-5,12,14,16H,6-10H2,1H3,(H,17,18).
What are the key properties of 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid?
3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 117239808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).