N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide

C13H25N2O3+ — CID 163118753

IUPACN-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide
SMILESO=C(C[NH+]1CCCCC1)C1CCC([NH+]([O-])O)CC1
InChIInChI=1S/C13H24N2O3/c16-13(10-14-8-2-1-3-9-14)11-4-6-12(7-5-11)15(17)18/h11-12,15,17H,1-10H2/p+1
InChIKeyNDAUQGAEHNKOJA-UHFFFAOYSA-O
MW257.35 g/mol
LogP-1.04
Rot. Bonds4

About N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide

N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide (PubChem CID 163118753) has the molecular formula C13H25N2O3+ and a molecular weight of 257.35 g/mol. Its IUPAC name is N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide.

Molecular Properties

Compound NameN-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide
PubChem CID163118753
Molecular FormulaC13H25N2O3+
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC NameN-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide
SMILESO=C(C[NH+]1CCCCC1)C1CCC([NH+]([O-])O)CC1
InChIInChI=1S/C13H24N2O3/c16-13(10-14-8-2-1-3-9-14)11-4-6-12(7-5-11)15(17)18/h11-12,15,17H,1-10H2/p+1
InChIKeyNDAUQGAEHNKOJA-UHFFFAOYSA-O
XLogP-1.04
TPSA69.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide?
The IUPAC name of N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide (CID 163118753) is N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide.
What is the SMILES notation for N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide?
The canonical SMILES for N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide is O=C(C[NH+]1CCCCC1)C1CCC([NH+]([O-])O)CC1.
What is the InChIKey of N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide?
The InChIKey is NDAUQGAEHNKOJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H24N2O3/c16-13(10-14-8-2-1-3-9-14)11-4-6-12(7-5-11)15(17)18/h11-12,15,17H,1-10H2/p+1.
What are the key properties of N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide?
N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide has a molecular weight of 257.35 g/mol, XLogP of -1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide is sourced from PubChem (CID 163118753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).