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

C15H21NO4 — CID 84755639

IUPAC3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
SMILESCOc1ccccc1OC1CCCN(CCC(=O)O)C1
InChIInChI=1S/C15H21NO4/c1-19-13-6-2-3-7-14(13)20-12-5-4-9-16(11-12)10-8-15(17)18/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyOIAPUSYEKSGQRT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.01
Rot. Bonds6

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

3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid (PubChem CID 84755639) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
PubChem CID84755639
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
SMILESCOc1ccccc1OC1CCCN(CCC(=O)O)C1
InChIInChI=1S/C15H21NO4/c1-19-13-6-2-3-7-14(13)20-12-5-4-9-16(11-12)10-8-15(17)18/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyOIAPUSYEKSGQRT-UHFFFAOYSA-N
XLogP2.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid
CID 84755647
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-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
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-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
CID 119921488
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine
CID 15624038
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid (CID 84755639) is 3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid is COc1ccccc1OC1CCCN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid?
The InChIKey is OIAPUSYEKSGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-13-6-2-3-7-14(13)20-12-5-4-9-16(11-12)10-8-15(17)18/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,17,18).
What are the key properties of 3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid?
3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 84755639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).