1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid

C17H23NO3 — CID 82224165

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO3/c19-17(20)16-6-1-2-9-18(16)10-11-21-15-8-7-13-4-3-5-14(13)12-15/h7-8,12,16H,1-6,9-11H2,(H,19,20)
InChIKeyDILAXZOAJNPTNF-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.49
Rot. Bonds5

About 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid

1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid (PubChem CID 82224165) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid
PubChem CID82224165
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1CCOc1ccc2c(c1)CCC2
InChIInChI=1S/C17H23NO3/c19-17(20)16-6-1-2-9-18(16)10-11-21-15-8-7-13-4-3-5-14(13)12-15/h7-8,12,16H,1-6,9-11H2,(H,19,20)
InChIKeyDILAXZOAJNPTNF-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
1-[2-(3-bromophenoxy)ethyl]azepane-2-carboxylic acid
CID 64561789
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136
1-[3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-2-carboxylic acid
CID 82183559
(2S)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167816033
(2S)-1-[2-(3-bromophenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049033
1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 43442010
1-(5-phenoxypentyl)piperidine-2-carboxylic acid
CID 122040490
1-[3-(4-chlorophenoxy)propyl]azepane-2-carboxylic acid
CID 64563566
1-[3-(3-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224106
1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
CID 122562043
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 82224167

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid (CID 82224165) is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1CCOc1ccc2c(c1)CCC2.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid?
The InChIKey is DILAXZOAJNPTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-17(20)16-6-1-2-9-18(16)10-11-21-15-8-7-13-4-3-5-14(13)12-15/h7-8,12,16H,1-6,9-11H2,(H,19,20).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid?
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 82224165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).