2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid

C17H25NO3 — CID 61010857

IUPAC2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid
SMILESCc1cc(C)cc(OCCN2CCCCC2CC(=O)O)c1
InChIInChI=1S/C17H25NO3/c1-13-9-14(2)11-16(10-13)21-8-7-18-6-4-3-5-15(18)12-17(19)20/h9-11,15H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyYDJPWJFMXZWUMT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid

2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid (PubChem CID 61010857) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid
PubChem CID61010857
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid
SMILESCc1cc(C)cc(OCCN2CCCCC2CC(=O)O)c1
InChIInChI=1S/C17H25NO3/c1-13-9-14(2)11-16(10-13)21-8-7-18-6-4-3-5-15(18)12-17(19)20/h9-11,15H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyYDJPWJFMXZWUMT-UHFFFAOYSA-N
XLogP3.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62046348
2-[1-(2-propoxyethyl)piperidin-2-yl]acetic acid
CID 106454638
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
CID 63068600
2-[4-[2-(3-methylphenoxy)ethyl]thiomorpholin-3-yl]acetic acid
CID 66443406
1-[2-(3,5-dimethylphenoxy)ethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426275
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
CID 39349318
3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 134060467
(3S)-1-[3-(3,5-dimethylphenoxy)propyl]piperidine-3-carboxylic acid
CID 93048534
2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
CID 106454643

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid (CID 61010857) is 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid is Cc1cc(C)cc(OCCN2CCCCC2CC(=O)O)c1.
What is the InChIKey of 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid?
The InChIKey is YDJPWJFMXZWUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-9-14(2)11-16(10-13)21-8-7-18-6-4-3-5-15(18)12-17(19)20/h9-11,15H,3-8,12H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid?
2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).