2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid

C15H21NO3 — CID 164531370

IUPAC2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid
SMILESCC1(C)CCCNC1c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-15(2)8-3-9-16-14(15)11-4-6-12(7-5-11)19-10-13(17)18/h4-7,14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyTXMKQWKOSWPLIL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid

2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid (PubChem CID 164531370) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid
PubChem CID164531370
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid
SMILESCC1(C)CCCNC1c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-15(2)8-3-9-16-14(15)11-4-6-12(7-5-11)19-10-13(17)18/h4-7,14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyTXMKQWKOSWPLIL-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-pyrrolidin-3-ylphenoxy)acetic acid
CID 115032579
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid
CID 1080337
2-[4-(2-cyano-3,3-dimethylpiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 154805285
2-[4-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901157
2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid
CID 137219103
2-[4-[(1-methylcyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 120537255
2-[4-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104913965
2-[4-(3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 136554249
2-phenoxyacetic acid;piperazine
CID 54610102
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856
(2R,4R)-2-[4-(carboxymethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 51390894

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid (CID 164531370) is 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid is CC1(C)CCCNC1c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid?
The InChIKey is TXMKQWKOSWPLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)8-3-9-16-14(15)11-4-6-12(7-5-11)19-10-13(17)18/h4-7,14,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid?
2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid is sourced from PubChem (CID 164531370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).