5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid

C12H21NO4 — CID 83212909

IUPAC5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COCC2CCCCN2)O1
InChIInChI=1S/C12H21NO4/c14-12(15)11-5-4-10(17-11)8-16-7-9-3-1-2-6-13-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyZMHKYDYJCDNISG-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.78
Rot. Bonds5

About 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid

5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid (PubChem CID 83212909) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
PubChem CID83212909
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COCC2CCCCN2)O1
InChIInChI=1S/C12H21NO4/c14-12(15)11-5-4-10(17-11)8-16-7-9-3-1-2-6-13-9/h9-11,13H,1-8H2,(H,14,15)
InChIKeyZMHKYDYJCDNISG-UHFFFAOYSA-N
XLogP0.78
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
CID 55067862
2-[(5-methyloxolan-2-yl)methoxymethyl]pyrrolidine
CID 103135674
5-(2-propoxyethoxymethyl)oxolane-2-carboxylic acid
CID 63687060
2-(oxan-2-ylmethoxymethyl)piperidine
CID 24705678
2-(ethoxymethyl)azepane
CID 79569846
2-(cyclohexylmethoxymethyl)pyrrolidine
CID 62335288
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
2-methyl-4-(piperidin-2-ylmethoxy)but-2-enoic acid
CID 83212409
2-(oxan-4-ylmethoxymethyl)piperidine
CID 62383000
1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid
CID 83213406
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid
CID 62300450

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid (CID 83212909) is 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(COCC2CCCCN2)O1.
What is the InChIKey of 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid?
The InChIKey is ZMHKYDYJCDNISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c14-12(15)11-5-4-10(17-11)8-16-7-9-3-1-2-6-13-9/h9-11,13H,1-8H2,(H,14,15).
What are the key properties of 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid?
5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-2-ylmethoxymethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 83212909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).