1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid

C10H19NO4 — CID 61070324

IUPAC1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCOCCO)C1
InChIInChI=1S/C10H19NO4/c12-5-7-15-6-4-11-3-1-2-9(8-11)10(13)14/h9,12H,1-8H2,(H,13,14)
InChIKeyCTMNJECLTSQWAF-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.21
Rot. Bonds6

About 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid

1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid (PubChem CID 61070324) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
PubChem CID61070324
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCOCCO)C1
InChIInChI=1S/C10H19NO4/c12-5-7-15-6-4-11-3-1-2-9(8-11)10(13)14/h9,12H,1-8H2,(H,13,14)
InChIKeyCTMNJECLTSQWAF-UHFFFAOYSA-N
XLogP-0.21
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-propoxyethyl)piperidine-3-carboxylic acid
CID 106454575
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 11079073
(3R)-1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidine-3-carboxylic acid
CID 54147952
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
2-[2-[3-(azepan-1-yl)piperidin-1-yl]ethoxy]ethanol
CID 111439692
(3R)-1-[2-[2-[2-(N-phenylanilino)ethoxy]ethoxy]ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 45265298
1-[2-[4-(N-phenylanilino)butoxy]ethyl]piperidine-3-carboxylic acid
CID 21266393
(3R)-1-[2-(2-phenoxazin-10-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 10915935
(3R)-1-[2-(2-phenothiazin-10-ylethoxy)ethyl]piperidine-3-carboxylic acid;hydrochloride
CID 24842634
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
1-[2-(2-aminoethoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 103482277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid (CID 61070324) is 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCOCCO)C1.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid?
The InChIKey is CTMNJECLTSQWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c12-5-7-15-6-4-11-3-1-2-9(8-11)10(13)14/h9,12H,1-8H2,(H,13,14).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid?
1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61070324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).