3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one

C9H18N2O3 — CID 106111138

IUPAC3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCC(O)CC1
InChIInChI=1S/C9H18N2O3/c1-14-8(6-10)9(13)11-4-2-7(12)3-5-11/h7-8,12H,2-6,10H2,1H3
InChIKeyZFDWEWJCXWLFKY-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.06
Rot. Bonds3

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

3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one (PubChem CID 106111138) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
PubChem CID106111138
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
SMILESCOC(CN)C(=O)N1CCC(O)CC1
InChIInChI=1S/C9H18N2O3/c1-14-8(6-10)9(13)11-4-2-7(12)3-5-11/h7-8,12H,2-6,10H2,1H3
InChIKeyZFDWEWJCXWLFKY-UHFFFAOYSA-N
XLogP-1.06
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.06
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-hydroxypiperidin-1-yl)-2-methoxypropan-1-one?
The IUPAC name of 3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one (CID 106111138) is 3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one.
What is the SMILES notation for 3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one?
The canonical SMILES for 3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one is COC(CN)C(=O)N1CCC(O)CC1.
What is the InChIKey of 3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one?
The InChIKey is ZFDWEWJCXWLFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-14-8(6-10)9(13)11-4-2-7(12)3-5-11/h7-8,12H,2-6,10H2,1H3.
What are the key properties of 3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one?
3-amino-1-(4-hydroxypiperidin-1-yl)-2-methoxypropan-1-one has a molecular weight of 202.25 g/mol, XLogP of -1.06, 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-hydroxypiperidin-1-yl)-2-methoxypropan-1-one is sourced from PubChem (CID 106111138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).