3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one

C10H20N2O3 — CID 106113217

IUPAC3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C10H20N2O3/c1-10(14)3-5-12(6-4-10)9(13)8(7-11)15-2/h8,14H,3-7,11H2,1-2H3
InChIKeySRHZQTUZKRSDKY-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.67
Rot. Bonds3

About 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one

3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one (PubChem CID 106113217) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
PubChem CID106113217
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C10H20N2O3/c1-10(14)3-5-12(6-4-10)9(13)8(7-11)15-2/h8,14H,3-7,11H2,1-2H3
InChIKeySRHZQTUZKRSDKY-UHFFFAOYSA-N
XLogP-0.67
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one (CID 106113217) is 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one is COC(CN)C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is SRHZQTUZKRSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(14)3-5-12(6-4-10)9(13)8(7-11)15-2/h8,14H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one?
3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 216.28 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 106113217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).