3,3-dimethylpiperidine-1-carboxylic acid

C8H15NO2 — CID 19976085

IUPAC3,3-dimethylpiperidine-1-carboxylic acid
SMILESCC1(C)CCCN(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-8(2)4-3-5-9(6-8)7(10)11/h3-6H2,1-2H3,(H,10,11)
InChIKeyYIEADNILIRHBHR-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.79
Rot. Bonds

About 3,3-dimethylpiperidine-1-carboxylic acid

3,3-dimethylpiperidine-1-carboxylic acid (PubChem CID 19976085) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3,3-dimethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethylpiperidine-1-carboxylic acid
PubChem CID19976085
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3,3-dimethylpiperidine-1-carboxylic acid
SMILESCC1(C)CCCN(C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-8(2)4-3-5-9(6-8)7(10)11/h3-6H2,1-2H3,(H,10,11)
InChIKeyYIEADNILIRHBHR-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpiperidine-1-carboxylic acid?
The IUPAC name of 3,3-dimethylpiperidine-1-carboxylic acid (CID 19976085) is 3,3-dimethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 3,3-dimethylpiperidine-1-carboxylic acid?
The canonical SMILES for 3,3-dimethylpiperidine-1-carboxylic acid is CC1(C)CCCN(C(=O)O)C1.
What is the InChIKey of 3,3-dimethylpiperidine-1-carboxylic acid?
The InChIKey is YIEADNILIRHBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)4-3-5-9(6-8)7(10)11/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 3,3-dimethylpiperidine-1-carboxylic acid?
3,3-dimethylpiperidine-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 19976085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).