2-(1,3-dimethylpiperidin-3-yl)acetic acid

C9H17NO2 — CID 83816280

IUPAC2-(1,3-dimethylpiperidin-3-yl)acetic acid
SMILESCN1CCCC(C)(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-9(6-8(11)12)4-3-5-10(2)7-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyGDVSRRAHJNXJCB-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds2

About 2-(1,3-dimethylpiperidin-3-yl)acetic acid

2-(1,3-dimethylpiperidin-3-yl)acetic acid (PubChem CID 83816280) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1,3-dimethylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dimethylpiperidin-3-yl)acetic acid
PubChem CID83816280
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(1,3-dimethylpiperidin-3-yl)acetic acid
SMILESCN1CCCC(C)(CC(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-9(6-8(11)12)4-3-5-10(2)7-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyGDVSRRAHJNXJCB-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
1,4-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 45595338
3-(1-Methylpiperidin-4-yl)propanoic acid hydrochloride
CID 67402292
2-(1-Tert-butoxycarbonyl-3-methyl-3-piperidyl)acetic acid
CID 115048062
2-(1-Methylpiperidin-3-yl)acetic acid hydrochloride
CID 77253672
2-Methyl-2-(1-methylpiperidin-3-yl)propanoic acid hydrochloride
CID 119031002
1,2-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 155895625
1-Cyclopentanecarbonyl-4-methyl-piperidine-4-carboxylic acid
CID 63123243
5-Trimethyl-4-piperidinecarboxylic acid
CID 83905880
2-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 97794025
Acetic acid, 1-butyl-3-piperidyl ester
CID 144400
2-(1-Methylpiperidin-3-yl)acetic acid
CID 10511128

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1,3-dimethylpiperidin-3-yl)acetic acid (CID 83816280) is 2-(1,3-dimethylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dimethylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1,3-dimethylpiperidin-3-yl)acetic acid is CN1CCCC(C)(CC(=O)O)C1.
What is the InChIKey of 2-(1,3-dimethylpiperidin-3-yl)acetic acid?
The InChIKey is GDVSRRAHJNXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(6-8(11)12)4-3-5-10(2)7-9/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(1,3-dimethylpiperidin-3-yl)acetic acid?
2-(1,3-dimethylpiperidin-3-yl)acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 83816280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).