1-piperidin-4-ylpiperidine-4-carboxylic acid

C11H20N2O2 — CID 22722020

IUPAC1-piperidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C11H20N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyWTLWHVGPUFVOJT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.54
Rot. Bonds2

About 1-piperidin-4-ylpiperidine-4-carboxylic acid

1-piperidin-4-ylpiperidine-4-carboxylic acid (PubChem CID 22722020) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-piperidin-4-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-piperidin-4-ylpiperidine-4-carboxylic acid
PubChem CID22722020
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-piperidin-4-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C11H20N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h9-10,12H,1-8H2,(H,14,15)
InChIKeyWTLWHVGPUFVOJT-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-piperidin-4-ylpiperidine-4-carboxylic acid (CID 22722020) is 1-piperidin-4-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-piperidin-4-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-piperidin-4-ylpiperidine-4-carboxylic acid is O=C(O)C1CCN(C2CCNCC2)CC1.
What is the InChIKey of 1-piperidin-4-ylpiperidine-4-carboxylic acid?
The InChIKey is WTLWHVGPUFVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(15)9-3-7-13(8-4-9)10-1-5-12-6-2-10/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 1-piperidin-4-ylpiperidine-4-carboxylic acid?
1-piperidin-4-ylpiperidine-4-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 22722020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).