2-(1,3,4-trimethylpiperidin-3-yl)acetic acid

C10H19NO2 — CID 18685065

IUPAC2-(1,3,4-trimethylpiperidin-3-yl)acetic acid
SMILESCC1CCN(C)CC1(C)CC(=O)O
InChIInChI=1S/C10H19NO2/c1-8-4-5-11(3)7-10(8,2)6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyYKCIZGJDOURKHR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds2

About 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid

2-(1,3,4-trimethylpiperidin-3-yl)acetic acid (PubChem CID 18685065) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3,4-trimethylpiperidin-3-yl)acetic acid
PubChem CID18685065
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(1,3,4-trimethylpiperidin-3-yl)acetic acid
SMILESCC1CCN(C)CC1(C)CC(=O)O
InChIInChI=1S/C10H19NO2/c1-8-4-5-11(3)7-10(8,2)6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyYKCIZGJDOURKHR-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid (CID 18685065) is 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid is CC1CCN(C)CC1(C)CC(=O)O.
What is the InChIKey of 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid?
The InChIKey is YKCIZGJDOURKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-4-5-11(3)7-10(8,2)6-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid?
2-(1,3,4-trimethylpiperidin-3-yl)acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-trimethylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 18685065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).