2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid

C13H23NO3 — CID 106745418

IUPAC2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
SMILESCC1CC(N2CCC(C(=O)O)CC2C)CCO1
InChIInChI=1S/C13H23NO3/c1-9-7-11(13(15)16)3-5-14(9)12-4-6-17-10(2)8-12/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyWIURFJQGXNGJPI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds2

About 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid

2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid (PubChem CID 106745418) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
PubChem CID106745418
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
SMILESCC1CC(N2CCC(C(=O)O)CC2C)CCO1
InChIInChI=1S/C13H23NO3/c1-9-7-11(13(15)16)3-5-14(9)12-4-6-17-10(2)8-12/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyWIURFJQGXNGJPI-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid (CID 106745418) is 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid is CC1CC(N2CCC(C(=O)O)CC2C)CCO1.
What is the InChIKey of 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid?
The InChIKey is WIURFJQGXNGJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9-7-11(13(15)16)3-5-14(9)12-4-6-17-10(2)8-12/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid?
2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106745418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).