1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid

C15H24N2O2 — CID 55103542

IUPAC1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCCC(C)CN1CCC(n2cccc2C(=O)O)CC1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)11-16-9-6-13(7-10-16)17-8-4-5-14(17)15(18)19/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3,(H,18,19)
InChIKeyZFHOHMFCQOCJJR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.87
Rot. Bonds5

About 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid

1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid (PubChem CID 55103542) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid
PubChem CID55103542
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESCCC(C)CN1CCC(n2cccc2C(=O)O)CC1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)11-16-9-6-13(7-10-16)17-8-4-5-14(17)15(18)19/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3,(H,18,19)
InChIKeyZFHOHMFCQOCJJR-UHFFFAOYSA-N
XLogP2.87
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid (CID 55103542) is 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid is CCC(C)CN1CCC(n2cccc2C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The InChIKey is ZFHOHMFCQOCJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12(2)11-16-9-6-13(7-10-16)17-8-4-5-14(17)15(18)19/h4-5,8,12-13H,3,6-7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 55103542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).