1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid

C17H23NO3 — CID 81131448

IUPAC1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid
SMILESCC1(C)CC(N2CCCCC2C(=O)O)c2ccccc2O1
InChIInChI=1S/C17H23NO3/c1-17(2)11-14(12-7-3-4-9-15(12)21-17)18-10-6-5-8-13(18)16(19)20/h3-4,7,9,13-14H,5-6,8,10-11H2,1-2H3,(H,19,20)
InChIKeyXWUVDJMELLAXMI-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.23
Rot. Bonds2

About 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid

1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid (PubChem CID 81131448) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid
PubChem CID81131448
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid
SMILESCC1(C)CC(N2CCCCC2C(=O)O)c2ccccc2O1
InChIInChI=1S/C17H23NO3/c1-17(2)11-14(12-7-3-4-9-15(12)21-17)18-10-6-5-8-13(18)16(19)20/h3-4,7,9,13-14H,5-6,8,10-11H2,1-2H3,(H,19,20)
InChIKeyXWUVDJMELLAXMI-UHFFFAOYSA-N
XLogP3.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid (CID 81131448) is 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid is CC1(C)CC(N2CCCCC2C(=O)O)c2ccccc2O1.
What is the InChIKey of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid?
The InChIKey is XWUVDJMELLAXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2)11-14(12-7-3-4-9-15(12)21-17)18-10-6-5-8-13(18)16(19)20/h3-4,7,9,13-14H,5-6,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid?
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 81131448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).