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

C13H23NO3 — CID 65064613

IUPAC4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
SMILESCC1CC(N2CCC(C)(C(=O)O)CC2)CCO1
InChIInChI=1S/C13H23NO3/c1-10-9-11(3-8-17-10)14-6-4-13(2,5-7-14)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyRHBDKMZHLZDVQU-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.74
Rot. Bonds2

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

4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid (PubChem CID 65064613) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
PubChem CID65064613
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
SMILESCC1CC(N2CCC(C)(C(=O)O)CC2)CCO1
InChIInChI=1S/C13H23NO3/c1-10-9-11(3-8-17-10)14-6-4-13(2,5-7-14)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyRHBDKMZHLZDVQU-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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Related Compounds

3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid
CID 65062149
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CID 65082997
1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 65072032
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
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CID 102972078
1-(2,2-dimethylcyclopentyl)-4-methylpiperidine-4-carboxylic acid
CID 79863319
1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552664
4-fluoro-1-(oxan-4-yl)azepane-4-carboxylic acid
CID 115055710
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine
CID 156515970
2-methyloxane-4-carboxylic acid
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CID 114105213

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid (CID 65064613) is 4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid is CC1CC(N2CCC(C)(C(=O)O)CC2)CCO1.
What is the InChIKey of 4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid?
The InChIKey is RHBDKMZHLZDVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-9-11(3-8-17-10)14-6-4-13(2,5-7-14)12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid?
4-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 4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65064613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).