2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid

C13H25NO4 — CID 146599489

IUPAC2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(COCCO)CCN1C(=O)O
InChIInChI=1S/C13H25NO4/c1-13(2,3)11-8-10(9-18-7-6-15)4-5-14(11)12(16)17/h10-11,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyGWBLWTNABICXGM-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.80
Rot. Bonds4

About 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid

2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid (PubChem CID 146599489) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid
PubChem CID146599489
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC(COCCO)CCN1C(=O)O
InChIInChI=1S/C13H25NO4/c1-13(2,3)11-8-10(9-18-7-6-15)4-5-14(11)12(16)17/h10-11,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyGWBLWTNABICXGM-UHFFFAOYSA-N
XLogP1.80
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid (CID 146599489) is 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid is CC(C)(C)C1CC(COCCO)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid?
The InChIKey is GWBLWTNABICXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,3)11-8-10(9-18-7-6-15)4-5-14(11)12(16)17/h10-11,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid?
2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 146599489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).