4,4-dimethylpiperidine-3-carboxylic acid

C8H15NO2 — CID 83669924

IUPAC4,4-dimethylpiperidine-3-carboxylic acid
SMILESCC1(C)CCNCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(2)3-4-9-5-6(8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyCUBYRZGUSVVPJA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds1

About 4,4-dimethylpiperidine-3-carboxylic acid

4,4-dimethylpiperidine-3-carboxylic acid (PubChem CID 83669924) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4,4-dimethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethylpiperidine-3-carboxylic acid
PubChem CID83669924
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4,4-dimethylpiperidine-3-carboxylic acid
SMILESCC1(C)CCNCC1C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(2)3-4-9-5-6(8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyCUBYRZGUSVVPJA-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-azaspiro[4.5]decane-10-carboxylic acid
CID 91278637
6-azaspiro[2.5]octane-2-carboxylic acid
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2,2-dimethyl-6-azaspiro[3.4]octane-8-carboxylic acid
CID 131143190
(2S)-3,3-dimethylpyrrolidine-2-carboxylic acid;hydrobromide
CID 139998983
(3S,4S)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 96868579
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
4,4-dimethyloxane-3-carboxylic acid
CID 83669967
8-methyl-2-azaspiro[4.6]undecane-4-carboxylic acid
CID 65082433
4,4-diethylpyrrolidine-3-carboxylic acid
CID 63939611
(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98523902
(3R,4R)-4-amino-4-methylpiperidin-3-ol
CID 118248932
3-hydroxy-2,2-dimethyl-3-propan-2-ylcyclopentane-1-carboxylic acid
CID 118103364

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpiperidine-3-carboxylic acid?
The IUPAC name of 4,4-dimethylpiperidine-3-carboxylic acid (CID 83669924) is 4,4-dimethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 4,4-dimethylpiperidine-3-carboxylic acid?
The canonical SMILES for 4,4-dimethylpiperidine-3-carboxylic acid is CC1(C)CCNCC1C(=O)O.
What is the InChIKey of 4,4-dimethylpiperidine-3-carboxylic acid?
The InChIKey is CUBYRZGUSVVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)3-4-9-5-6(8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 4,4-dimethylpiperidine-3-carboxylic acid?
4,4-dimethylpiperidine-3-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83669924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).