4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid

C10H19NO4 — CID 67315332

IUPAC4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCO)(CCO)CC1
InChIInChI=1S/C10H19NO4/c12-7-3-10(4-8-13)1-5-11(6-2-10)9(14)15/h12-13H,1-8H2,(H,14,15)
InChIKeyGEJLQJPQPLVXLG-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.51
Rot. Bonds4

About 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid

4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid (PubChem CID 67315332) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid
PubChem CID67315332
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCO)(CCO)CC1
InChIInChI=1S/C10H19NO4/c12-7-3-10(4-8-13)1-5-11(6-2-10)9(14)15/h12-13H,1-8H2,(H,14,15)
InChIKeyGEJLQJPQPLVXLG-UHFFFAOYSA-N
XLogP0.51
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid (CID 67315332) is 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CCO)(CCO)CC1.
What is the InChIKey of 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid?
The InChIKey is GEJLQJPQPLVXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c12-7-3-10(4-8-13)1-5-11(6-2-10)9(14)15/h12-13H,1-8H2,(H,14,15).
What are the key properties of 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid?
4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(2-hydroxyethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67315332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).