2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid

C13H26N2O2 — CID 117013317

IUPAC2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid
SMILESCN(C)CCCN1CCCC(C)(CC(=O)O)C1
InChIInChI=1S/C13H26N2O2/c1-13(10-12(16)17)6-4-8-15(11-13)9-5-7-14(2)3/h4-11H2,1-3H3,(H,16,17)
InChIKeyHJRUYBPXMNYGEH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.51
Rot. Bonds6

About 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid

2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid (PubChem CID 117013317) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid
PubChem CID117013317
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid
SMILESCN(C)CCCN1CCCC(C)(CC(=O)O)C1
InChIInChI=1S/C13H26N2O2/c1-13(10-12(16)17)6-4-8-15(11-13)9-5-7-14(2)3/h4-11H2,1-3H3,(H,16,17)
InChIKeyHJRUYBPXMNYGEH-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-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

Related Compounds

3-(1-Methylpiperidin-4-yl)propanoic acid hydrochloride
CID 67402292
2-(1-Methylpiperidin-3-yl)acetic acid hydrochloride
CID 77253672
2-Methyl-2-(1-methylpiperidin-3-yl)propanoic acid hydrochloride
CID 119031002
Acetic acid, 1-butyl-3-piperidyl ester
CID 144400
2-(1-Methylpiperidin-3-yl)acetic acid
CID 10511128
3-(1-Methylpiperidin-4-YL)propanoic acid
CID 22056660
4-Propyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxylic acid
CID 63126857
1-(2,2-Difluoroethyl)-4-propylpiperidine-4-carboxylic acid
CID 63127511
4-Propyl-1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 64566328
1-(2-Fluoroethyl)-4-propylpiperidine-4-carboxylic acid
CID 80694300
2-[1-(2-Fluoroethyl)piperidin-3-yl]acetic acid
CID 80695917
1-(3-Fluoropropyl)-4-propylpiperidine-4-carboxylic acid
CID 81113636

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid (CID 117013317) is 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid is CN(C)CCCN1CCCC(C)(CC(=O)O)C1.
What is the InChIKey of 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid?
The InChIKey is HJRUYBPXMNYGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(10-12(16)17)6-4-8-15(11-13)9-5-7-14(2)3/h4-11H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid?
2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid has a molecular weight of 242.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)propyl]-3-methylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 117013317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).