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

C11H20N2O2 — CID 54077735

IUPAC4-piperidin-4-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C11H20N2O2/c14-11(15)13-7-3-10(4-8-13)9-1-5-12-6-2-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyMKXFFKKNBJYWSX-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.38
Rot. Bonds1

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

4-piperidin-4-ylpiperidine-1-carboxylic acid (PubChem CID 54077735) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-piperidin-4-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-4-ylpiperidine-1-carboxylic acid
PubChem CID54077735
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-piperidin-4-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CCNCC2)CC1
InChIInChI=1S/C11H20N2O2/c14-11(15)13-7-3-10(4-8-13)9-1-5-12-6-2-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyMKXFFKKNBJYWSX-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylpiperidine-1-carboxylic acid?
The IUPAC name of 4-piperidin-4-ylpiperidine-1-carboxylic acid (CID 54077735) is 4-piperidin-4-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-piperidin-4-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-piperidin-4-ylpiperidine-1-carboxylic acid is O=C(O)N1CCC(C2CCNCC2)CC1.
What is the InChIKey of 4-piperidin-4-ylpiperidine-1-carboxylic acid?
The InChIKey is MKXFFKKNBJYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(15)13-7-3-10(4-8-13)9-1-5-12-6-2-9/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 4-piperidin-4-ylpiperidine-1-carboxylic acid?
4-piperidin-4-ylpiperidine-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 54077735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).