1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one

C9H18N2O2 — CID 39237865

IUPAC1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CON)CC1
InChIInChI=1S/C9H18N2O2/c1-2-9(12)11-5-3-8(4-6-11)7-13-10/h8H,2-7,10H2,1H3
InChIKeyMDDNZBMQENNUQZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.53
Rot. Bonds3

About 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one

1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 39237865) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one
PubChem CID39237865
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CON)CC1
InChIInChI=1S/C9H18N2O2/c1-2-9(12)11-5-3-8(4-6-11)7-13-10/h8H,2-7,10H2,1H3
InChIKeyMDDNZBMQENNUQZ-UHFFFAOYSA-N
XLogP0.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131909918
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-[4-(aminooxymethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 39382607
1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 129178233
[1-(2-methoxyacetyl)piperidin-4-yl]methyl carbamate
CID 175556728
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
1-(4-iodopiperidin-1-yl)propan-1-one
CID 126745875
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one (CID 39237865) is 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(CON)CC1.
What is the InChIKey of 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is MDDNZBMQENNUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-9(12)11-5-3-8(4-6-11)7-13-10/h8H,2-7,10H2,1H3.
What are the key properties of 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one?
1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 186.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 39237865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).