2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid

C21H25NO4 — CID 19874276

IUPAC2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
SMILESCOc1ccc(C(OC2CCN(CC(=O)O)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H25NO4/c1-25-18-9-7-17(8-10-18)21(16-5-3-2-4-6-16)26-19-11-13-22(14-12-19)15-20(23)24/h2-10,19,21H,11-15H2,1H3,(H,23,24)
InChIKeyOYQOSKKTKLICAW-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.35
Rot. Bonds7

About 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid

2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid (PubChem CID 19874276) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
PubChem CID19874276
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
SMILESCOc1ccc(C(OC2CCN(CC(=O)O)CC2)c2ccccc2)cc1
InChIInChI=1S/C21H25NO4/c1-25-18-9-7-17(8-10-18)21(16-5-3-2-4-6-16)26-19-11-13-22(14-12-19)15-20(23)24/h2-10,19,21H,11-15H2,1H3,(H,23,24)
InChIKeyOYQOSKKTKLICAW-UHFFFAOYSA-N
XLogP3.35
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate
CID 70366445
but-2-enedioic acid;7-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 67903102
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl ethaneperoxoate
CID 88610837
bis[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl] (E)-but-2-enedioate
CID 67831085
ethyl 4-(4-benzhydryloxypiperidin-1-yl)-3-oxobutanoate
CID 150642644
ethyl 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine-1-carboxylate
CID 10385289
6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid
CID 89474416
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
methyl 6-[4-[phenyl-(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]hexanoate
CID 139601779
3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 10316907
4-[(4-ethylphenyl)-phenylmethoxy]piperidine-1-carboxylic acid
CID 67830997
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid (CID 19874276) is 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid is COc1ccc(C(OC2CCN(CC(=O)O)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid?
The InChIKey is OYQOSKKTKLICAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-25-18-9-7-17(8-10-18)21(16-5-3-2-4-6-16)26-19-11-13-22(14-12-19)15-20(23)24/h2-10,19,21H,11-15H2,1H3,(H,23,24).
What are the key properties of 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid?
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid has a molecular weight of 355.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid is sourced from PubChem (CID 19874276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).