3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid

C16H23NO3 — CID 84755346

IUPAC3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
SMILESCc1ccc(COC2CCCN(CCC(=O)O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-13-4-6-14(7-5-13)12-20-15-3-2-9-17(11-15)10-8-16(18)19/h4-7,15H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyZFKBOJWGZWNWRH-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.45
Rot. Bonds6

About 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid

3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid (PubChem CID 84755346) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
PubChem CID84755346
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
SMILESCc1ccc(COC2CCCN(CCC(=O)O)C2)cc1
InChIInChI=1S/C16H23NO3/c1-13-4-6-14(7-5-13)12-20-15-3-2-9-17(11-15)10-8-16(18)19/h4-7,15H,2-3,8-12H2,1H3,(H,18,19)
InChIKeyZFKBOJWGZWNWRH-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3-cyanophenyl)methoxy]piperidin-1-yl]propanoic acid
CID 84755389
3-[3-(2,4-dimethylphenoxy)piperidin-1-yl]propanoic acid
CID 84755635
methyl 4-[(3R)-3-phenylmethoxypiperidin-1-yl]butanoate
CID 58280187
3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 46028750
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
3-[1-[2-(4-methylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 122101094
3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
CID 84755639
3-[3-(2,6-dichlorophenoxy)piperidin-1-yl]propanoic acid
CID 84755674
3-[3-(2-propan-2-ylphenoxy)piperidin-1-yl]propanoic acid
CID 84755647
3-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)piperidin-1-yl]propanoic acid
CID 84755666
(2,4-dichlorophenyl)-[(3R)-3-[(4-methylphenyl)methoxy]piperidin-1-yl]methanone
CID 93223338
1-[2-(4-methylphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255457

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid (CID 84755346) is 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid is Cc1ccc(COC2CCCN(CCC(=O)O)C2)cc1.
What is the InChIKey of 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid?
The InChIKey is ZFKBOJWGZWNWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13-4-6-14(7-5-13)12-20-15-3-2-9-17(11-15)10-8-16(18)19/h4-7,15H,2-3,8-12H2,1H3,(H,18,19).
What are the key properties of 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid?
3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 84755346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).