3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid

C16H23NO3 — CID 119921488

IUPAC3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
SMILESCOc1ccccc1CC1CCN(CCC(=O)O)CC1
InChIInChI=1S/C16H23NO3/c1-20-15-5-3-2-4-14(15)12-13-6-9-17(10-7-13)11-8-16(18)19/h2-5,13H,6-12H2,1H3,(H,18,19)
InChIKeyIPSLPFMMQNQJAF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.42
Rot. Bonds6

About 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid

3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid (PubChem CID 119921488) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
PubChem CID119921488
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid
SMILESCOc1ccccc1CC1CCN(CCC(=O)O)CC1
InChIInChI=1S/C16H23NO3/c1-20-15-5-3-2-4-14(15)12-13-6-9-17(10-7-13)11-8-16(18)19/h2-5,13H,6-12H2,1H3,(H,18,19)
InChIKeyIPSLPFMMQNQJAF-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976723
(1-aminocyclopropyl)-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 119769086
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
3-[3-(2-methoxyphenoxy)piperidin-1-yl]propanoic acid
CID 84755639
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 104792774
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591375
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
1-[4-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl-methylamino]piperidin-1-yl]ethanone
CID 25454138
3-[4-[2-[(2-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046252
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597
(2R)-N-carbamoyl-2-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanamide
CID 95155506

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid (CID 119921488) is 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid is COc1ccccc1CC1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid?
The InChIKey is IPSLPFMMQNQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-15-5-3-2-4-14(15)12-13-6-9-17(10-7-13)11-8-16(18)19/h2-5,13H,6-12H2,1H3,(H,18,19).
What are the key properties of 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid?
3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119921488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).