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

C11H20N2O2 — CID 102957240

IUPAC2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C11H20N2O2/c1-3-4-9(12)11(15)13-6-5-8(2)10(14)7-13/h3,8-10,14H,1,4-7,12H2,2H3
InChIKeyOEIXWGQNNRLTNA-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.12
Rot. Bonds3

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

2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one (PubChem CID 102957240) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one
PubChem CID102957240
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C11H20N2O2/c1-3-4-9(12)11(15)13-6-5-8(2)10(14)7-13/h3,8-10,14H,1,4-7,12H2,2H3
InChIKeyOEIXWGQNNRLTNA-UHFFFAOYSA-N
XLogP0.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pent-4-en-1-one
CID 114678359
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 102957127
(2S)-2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 102957113
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 102957109
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
2-[1-(2-aminopent-4-enoyl)azetidin-3-yl]propanoic acid
CID 116682246
3-amino-4-(4-hydroxy-3-methylpiperidin-1-yl)-4-oxobutanoic acid
CID 114678426
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pent-4-en-1-one
CID 102932657
2-amino-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pent-4-en-1-one
CID 114409263
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107036847
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 102956893

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one?
The IUPAC name of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one (CID 102957240) is 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one.
What is the SMILES notation for 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one?
The canonical SMILES for 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one is C=CCC(N)C(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one?
The InChIKey is OEIXWGQNNRLTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-9(12)11(15)13-6-5-8(2)10(14)7-13/h3,8-10,14H,1,4-7,12H2,2H3.
What are the key properties of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one?
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one is sourced from PubChem (CID 102957240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).