2-(1-aminooxypiperidin-4-yl)acetonitrile

C7H13N3O — CID 166010695

IUPAC2-(1-aminooxypiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(ON)CC1
InChIInChI=1S/C7H13N3O/c8-4-1-7-2-5-10(11-9)6-3-7/h7H,1-3,5-6,9H2
InChIKeySLXRCXZSJHMGGW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds2

About 2-(1-aminooxypiperidin-4-yl)acetonitrile

2-(1-aminooxypiperidin-4-yl)acetonitrile (PubChem CID 166010695) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(1-aminooxypiperidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-aminooxypiperidin-4-yl)acetonitrile
PubChem CID166010695
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(1-aminooxypiperidin-4-yl)acetonitrile
SMILESN#CCC1CCN(ON)CC1
InChIInChI=1S/C7H13N3O/c8-4-1-7-2-5-10(11-9)6-3-7/h7H,1-3,5-6,9H2
InChIKeySLXRCXZSJHMGGW-UHFFFAOYSA-N
XLogP0.42
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclohexylpiperidin-4-yl)acetonitrile
CID 83916529
2-cycloundecylacetonitrile
CID 89159933
2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
CID 117003584
2-(1-ethylazepan-4-yl)acetonitrile
CID 83914417
2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile
CID 84670665
4-(cyanomethyl)azepane-1-carboxylic acid
CID 67156015
2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile
CID 117003663
2-(1,2-dimethylpiperidin-4-yl)acetonitrile
CID 83845549
2-[1-(4-methylphenyl)piperidin-4-yl]acetonitrile
CID 117003604
2-(1-propylpyrrolidin-3-yl)acetonitrile
CID 66545592
2-(1-tritylpiperidin-4-yl)acetonitrile
CID 15480814
2-[4-(cyanomethyl)piperidin-1-yl]propan-2-yl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 138500935

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminooxypiperidin-4-yl)acetonitrile?
The IUPAC name of 2-(1-aminooxypiperidin-4-yl)acetonitrile (CID 166010695) is 2-(1-aminooxypiperidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(1-aminooxypiperidin-4-yl)acetonitrile?
The canonical SMILES for 2-(1-aminooxypiperidin-4-yl)acetonitrile is N#CCC1CCN(ON)CC1.
What is the InChIKey of 2-(1-aminooxypiperidin-4-yl)acetonitrile?
The InChIKey is SLXRCXZSJHMGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-4-1-7-2-5-10(11-9)6-3-7/h7H,1-3,5-6,9H2.
What are the key properties of 2-(1-aminooxypiperidin-4-yl)acetonitrile?
2-(1-aminooxypiperidin-4-yl)acetonitrile has a molecular weight of 155.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminooxypiperidin-4-yl)acetonitrile is sourced from PubChem (CID 166010695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).