1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid

C17H25NO3 — CID 82224167

IUPAC1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid
SMILESCC(C)c1ccccc1OCCN1CCCCC1C(=O)O
InChIInChI=1S/C17H25NO3/c1-13(2)14-7-3-4-9-16(14)21-12-11-18-10-6-5-8-15(18)17(19)20/h3-4,7,9,13,15H,5-6,8,10-12H2,1-2H3,(H,19,20)
InChIKeyVJSHPEZGAPNOAW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid

1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid (PubChem CID 82224167) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid
PubChem CID82224167
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid
SMILESCC(C)c1ccccc1OCCN1CCCCC1C(=O)O
InChIInChI=1S/C17H25NO3/c1-13(2)14-7-3-4-9-16(14)21-12-11-18-10-6-5-8-15(18)17(19)20/h3-4,7,9,13,15H,5-6,8,10-12H2,1-2H3,(H,19,20)
InChIKeyVJSHPEZGAPNOAW-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224104
1-[3-(2-chlorophenoxy)propyl]piperidine-2-carboxylic acid
CID 82224108
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43441878
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
1-[2-[2-(3-chlorophenyl)sulfanylphenoxy]ethyl]pyrrolidine-2-carboxylic acid
CID 69010220

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid (CID 82224167) is 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid is CC(C)c1ccccc1OCCN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid?
The InChIKey is VJSHPEZGAPNOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)14-7-3-4-9-16(14)21-12-11-18-10-6-5-8-15(18)17(19)20/h3-4,7,9,13,15H,5-6,8,10-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid?
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 82224167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).