1,2-dimethylpiperidine-2-carboxylic acid

C8H15NO2 — CID 73440704

IUPAC1,2-dimethylpiperidine-2-carboxylic acid
SMILESCN1CCCCC1(C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(7(10)11)5-3-4-6-9(8)2/h3-6H2,1-2H3,(H,10,11)
InChIKeyHAMVADKINVXMMK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.95
Rot. Bonds1

About 1,2-dimethylpiperidine-2-carboxylic acid

1,2-dimethylpiperidine-2-carboxylic acid (PubChem CID 73440704) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1,2-dimethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethylpiperidine-2-carboxylic acid
PubChem CID73440704
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1,2-dimethylpiperidine-2-carboxylic acid
SMILESCN1CCCCC1(C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-8(7(10)11)5-3-4-6-9(8)2/h3-6H2,1-2H3,(H,10,11)
InChIKeyHAMVADKINVXMMK-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperidine-2-carboxylic acid?
The IUPAC name of 1,2-dimethylpiperidine-2-carboxylic acid (CID 73440704) is 1,2-dimethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1,2-dimethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1,2-dimethylpiperidine-2-carboxylic acid is CN1CCCCC1(C)C(=O)O.
What is the InChIKey of 1,2-dimethylpiperidine-2-carboxylic acid?
The InChIKey is HAMVADKINVXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(7(10)11)5-3-4-6-9(8)2/h3-6H2,1-2H3,(H,10,11).
What are the key properties of 1,2-dimethylpiperidine-2-carboxylic acid?
1,2-dimethylpiperidine-2-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 73440704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).