(3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

C12H22N2O3 — CID 64892612

IUPAC(3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C12H22N2O3/c1-16-8-10-2-5-14(6-3-10)11(15)12(13)4-7-17-9-12/h10H,2-9,13H2,1H3
InChIKeyIOBPBKXYUFXJAR-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.01
Rot. Bonds3

About (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone

(3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 64892612) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID64892612
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C12H22N2O3/c1-16-8-10-2-5-14(6-3-10)11(15)12(13)4-7-17-9-12/h10H,2-9,13H2,1H3
InChIKeyIOBPBKXYUFXJAR-UHFFFAOYSA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 64892612) is (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)C2(N)CCOC2)CC1.
What is the InChIKey of (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is IOBPBKXYUFXJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-8-10-2-5-14(6-3-10)11(15)12(13)4-7-17-9-12/h10H,2-9,13H2,1H3.
What are the key properties of (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 242.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 64892612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).