1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid

C12H22N2O2 — CID 81468659

IUPAC1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)(N2CCCCC2)CN1C
InChIInChI=1S/C12H22N2O2/c1-10-8-12(11(15)16,9-13(10)2)14-6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyFZLDQHYBUXOQFQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.02
Rot. Bonds2

About 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid

1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid (PubChem CID 81468659) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid
PubChem CID81468659
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)(N2CCCCC2)CN1C
InChIInChI=1S/C12H22N2O2/c1-10-8-12(11(15)16,9-13(10)2)14-6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyFZLDQHYBUXOQFQ-UHFFFAOYSA-N
XLogP1.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid (CID 81468659) is 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid is CC1CC(C(=O)O)(N2CCCCC2)CN1C.
What is the InChIKey of 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid?
The InChIKey is FZLDQHYBUXOQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-8-12(11(15)16,9-13(10)2)14-6-4-3-5-7-14/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid?
1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-piperidin-1-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81468659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).