3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid

C11H21NO3 — CID 66323410

IUPAC3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid
SMILESCCCN1CCC(O)(CCC(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-2-7-12-8-5-11(15,6-9-12)4-3-10(13)14/h15H,2-9H2,1H3,(H,13,14)
InChIKeyQAGABHVGRSOPFC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.09
Rot. Bonds5

About 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid

3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid (PubChem CID 66323410) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid
PubChem CID66323410
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid
SMILESCCCN1CCC(O)(CCC(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-2-7-12-8-5-11(15,6-9-12)4-3-10(13)14/h15H,2-9H2,1H3,(H,13,14)
InChIKeyQAGABHVGRSOPFC-UHFFFAOYSA-N
XLogP1.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66323197
4-ethyl-1-propylpiperidin-4-ol
CID 60895499
2-(4-hydroxy-1-propylpiperidin-4-yl)acetonitrile
CID 79116476
4-(4-methylpentyl)-1-propylpiperidin-4-ol
CID 83158060
3-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]propanoic acid
CID 83266385
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
3-(1-hydroxycyclobutyl)propanoic acid
CID 66323196
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
4-but-3-ynyl-1-propylazepan-4-ol
CID 65077810
3-(2-aminoethyl)-1-propylpyrrolidin-3-ol
CID 83914587
methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
CID 62394199
2-(4-hydroxy-1-propylazepan-4-yl)-3-methylbutanoic acid
CID 65076967

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid (CID 66323410) is 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid is CCCN1CCC(O)(CCC(=O)O)CC1.
What is the InChIKey of 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid?
The InChIKey is QAGABHVGRSOPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-7-12-8-5-11(15,6-9-12)4-3-10(13)14/h15H,2-9H2,1H3,(H,13,14).
What are the key properties of 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid?
3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 66323410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).