2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid

C13H23NO3 — CID 106744645

IUPAC2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1CC1CCOCC1
InChIInChI=1S/C13H23NO3/c1-10-8-12(13(15)16)2-5-14(10)9-11-3-6-17-7-4-11/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyCGJDLQPBWJPKIM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds3

About 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid

2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 106744645) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid
PubChem CID106744645
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1CC1CCOCC1
InChIInChI=1S/C13H23NO3/c1-10-8-12(13(15)16)2-5-14(10)9-11-3-6-17-7-4-11/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyCGJDLQPBWJPKIM-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid (CID 106744645) is 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1CC1CCOCC1.
What is the InChIKey of 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is CGJDLQPBWJPKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-8-12(13(15)16)2-5-14(10)9-11-3-6-17-7-4-11/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid?
2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxan-4-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106744645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).