[3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone

C11H20N2O2 — CID 116922802

IUPAC[3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)C2(CN)COC2)CC1
InChIInChI=1S/C11H20N2O2/c1-13-4-2-9(3-5-13)10(14)11(6-12)7-15-8-11/h9H,2-8,12H2,1H3
InChIKeyZIWXUPTYCUGUOL-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.13
Rot. Bonds3

About [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone

[3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 116922802) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID116922802
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(C(=O)C2(CN)COC2)CC1
InChIInChI=1S/C11H20N2O2/c1-13-4-2-9(3-5-13)10(14)11(6-12)7-15-8-11/h9H,2-8,12H2,1H3
InChIKeyZIWXUPTYCUGUOL-UHFFFAOYSA-N
XLogP-0.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone (CID 116922802) is [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone is CN1CCC(C(=O)C2(CN)COC2)CC1.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is ZIWXUPTYCUGUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-4-2-9(3-5-13)10(14)11(6-12)7-15-8-11/h9H,2-8,12H2,1H3.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone?
[3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 212.29 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 116922802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).