1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid

C13H23NO2 — CID 79863529

IUPAC1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid
SMILESCC1(C)CCCC1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-13(2)7-3-4-11(13)14-8-5-10(6-9-14)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyKDXPIIPZXDSVDS-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid

1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid (PubChem CID 79863529) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid
PubChem CID79863529
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid
SMILESCC1(C)CCCC1N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO2/c1-13(2)7-3-4-11(13)14-8-5-10(6-9-14)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyKDXPIIPZXDSVDS-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid (CID 79863529) is 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid is CC1(C)CCCC1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid?
The InChIKey is KDXPIIPZXDSVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2)7-3-4-11(13)14-8-5-10(6-9-14)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid?
1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 79863529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).