1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid

C11H19NO2 — CID 83831372

IUPAC1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCCCC2)CCC1
InChIInChI=1S/C11H19NO2/c13-10(14)11(5-4-6-11)9-12-7-2-1-3-8-12/h1-9H2,(H,13,14)
InChIKeyBWMMUXSPPOZHMO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds3

About 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid

1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid (PubChem CID 83831372) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
PubChem CID83831372
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCCCC2)CCC1
InChIInChI=1S/C11H19NO2/c13-10(14)11(5-4-6-11)9-12-7-2-1-3-8-12/h1-9H2,(H,13,14)
InChIKeyBWMMUXSPPOZHMO-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid (CID 83831372) is 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid is O=C(O)C1(CN2CCCCC2)CCC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid?
The InChIKey is BWMMUXSPPOZHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10(14)11(5-4-6-11)9-12-7-2-1-3-8-12/h1-9H2,(H,13,14).
What are the key properties of 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid?
1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83831372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).