3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

C15H28N2O2 — CID 61243718

IUPAC3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESCC(C)C(C(=O)O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)14(15(18)19)17-10-6-13(7-11-17)16-8-4-3-5-9-16/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyWYYSJZRYABVVIR-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.05
Rot. Bonds4

About 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (PubChem CID 61243718) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
PubChem CID61243718
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESCC(C)C(C(=O)O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)14(15(18)19)17-10-6-13(7-11-17)16-8-4-3-5-9-16/h12-14H,3-11H2,1-2H3,(H,18,19)
InChIKeyWYYSJZRYABVVIR-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (CID 61243718) is 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is CC(C)C(C(=O)O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The InChIKey is WYYSJZRYABVVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)14(15(18)19)17-10-6-13(7-11-17)16-8-4-3-5-9-16/h12-14H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid has a molecular weight of 268.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 61243718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).