3-(1-propylpiperidin-4-yl)oxypropanoic acid

C11H21NO3 — CID 63905336

IUPAC3-(1-propylpiperidin-4-yl)oxypropanoic acid
SMILESCCCN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-2-6-12-7-3-10(4-8-12)15-9-5-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyPAFQRNLABKSRDU-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds6

About 3-(1-propylpiperidin-4-yl)oxypropanoic acid

3-(1-propylpiperidin-4-yl)oxypropanoic acid (PubChem CID 63905336) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(1-propylpiperidin-4-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-(1-propylpiperidin-4-yl)oxypropanoic acid
PubChem CID63905336
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(1-propylpiperidin-4-yl)oxypropanoic acid
SMILESCCCN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C11H21NO3/c1-2-6-12-7-3-10(4-8-12)15-9-5-11(13)14/h10H,2-9H2,1H3,(H,13,14)
InChIKeyPAFQRNLABKSRDU-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propylpiperidin-4-yl)oxypropanoic acid?
The IUPAC name of 3-(1-propylpiperidin-4-yl)oxypropanoic acid (CID 63905336) is 3-(1-propylpiperidin-4-yl)oxypropanoic acid.
What is the SMILES notation for 3-(1-propylpiperidin-4-yl)oxypropanoic acid?
The canonical SMILES for 3-(1-propylpiperidin-4-yl)oxypropanoic acid is CCCN1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-(1-propylpiperidin-4-yl)oxypropanoic acid?
The InChIKey is PAFQRNLABKSRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-6-12-7-3-10(4-8-12)15-9-5-11(13)14/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 3-(1-propylpiperidin-4-yl)oxypropanoic acid?
3-(1-propylpiperidin-4-yl)oxypropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propylpiperidin-4-yl)oxypropanoic acid is sourced from PubChem (CID 63905336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).