1-(2-propoxyethyl)piperidine-3-carboxylic acid

C11H21NO3 — CID 106454575

IUPAC1-(2-propoxyethyl)piperidine-3-carboxylic acid
SMILESCCCOCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-2-7-15-8-6-12-5-3-4-10(9-12)11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyKRUIJDBPXIYZAI-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds6

About 1-(2-propoxyethyl)piperidine-3-carboxylic acid

1-(2-propoxyethyl)piperidine-3-carboxylic acid (PubChem CID 106454575) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(2-propoxyethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-propoxyethyl)piperidine-3-carboxylic acid
PubChem CID106454575
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(2-propoxyethyl)piperidine-3-carboxylic acid
SMILESCCCOCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-2-7-15-8-6-12-5-3-4-10(9-12)11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyKRUIJDBPXIYZAI-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
CID 61070324
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 11079073
1-(2-ethylsulfonylethyl)piperidine-3-carboxylic acid
CID 43808023
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653
(3R)-1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidine-3-carboxylic acid
CID 54147952
1-[2-[4-(N-phenylanilino)butoxy]ethyl]piperidine-3-carboxylic acid
CID 21266393
(3R)-1-[2-[2-[2-(N-phenylanilino)ethoxy]ethoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265298
(3R)-1-[2-(2-phenoxazin-10-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 10915935
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-propoxyethyl)piperidine-3-carboxylic acid (CID 106454575) is 1-(2-propoxyethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-propoxyethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-propoxyethyl)piperidine-3-carboxylic acid is CCCOCCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-propoxyethyl)piperidine-3-carboxylic acid?
The InChIKey is KRUIJDBPXIYZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-7-15-8-6-12-5-3-4-10(9-12)11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 1-(2-propoxyethyl)piperidine-3-carboxylic acid?
1-(2-propoxyethyl)piperidine-3-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 106454575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).