3-(1-ethylpiperidin-4-yl)propanoic acid

C10H19NO2 — CID 62217708

IUPAC3-(1-ethylpiperidin-4-yl)propanoic acid
SMILESCCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-2-11-7-5-9(6-8-11)3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyKXMBGULFYRYTKC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds4

About 3-(1-ethylpiperidin-4-yl)propanoic acid

3-(1-ethylpiperidin-4-yl)propanoic acid (PubChem CID 62217708) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)propanoic acid
PubChem CID62217708
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(1-ethylpiperidin-4-yl)propanoic acid
SMILESCCN1CCC(CCC(=O)O)CC1
InChIInChI=1S/C10H19NO2/c1-2-11-7-5-9(6-8-11)3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyKXMBGULFYRYTKC-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)propanoic acid?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)propanoic acid (CID 62217708) is 3-(1-ethylpiperidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)propanoic acid?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)propanoic acid is CCN1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)propanoic acid?
The InChIKey is KXMBGULFYRYTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-11-7-5-9(6-8-11)3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 3-(1-ethylpiperidin-4-yl)propanoic acid?
3-(1-ethylpiperidin-4-yl)propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)propanoic acid is sourced from PubChem (CID 62217708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).