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

C12H25N2O2+ — CID 163169804

IUPACN-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide
SMILES[O-][NH+](O)C1CCCCC1C[NH+]1CCCCC1
InChIInChI=1S/C12H24N2O2/c15-14(16)12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h11-12,14-15H,1-10H2/p+1
InChIKeyRJBNTHBSAULWQX-UHFFFAOYSA-O
MW229.34 g/mol
LogP-0.61
Rot. Bonds3

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

N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide (PubChem CID 163169804) has the molecular formula C12H25N2O2+ and a molecular weight of 229.34 g/mol. Its IUPAC name is N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide.

Molecular Properties

Compound NameN-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide
PubChem CID163169804
Molecular FormulaC12H25N2O2+
Molecular Weight229.34 g/mol
Exact Mass229.19
IUPAC NameN-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide
SMILES[O-][NH+](O)C1CCCCC1C[NH+]1CCCCC1
InChIInChI=1S/C12H24N2O2/c15-14(16)12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h11-12,14-15H,1-10H2/p+1
InChIKeyRJBNTHBSAULWQX-UHFFFAOYSA-O
XLogP-0.61
TPSA52.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-ylmethyl)-N-hydroxycyclohexan-1-amine oxide
CID 163121717
2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide
CID 163177536
N-hydroxy-4-(2-piperidin-1-ium-1-ylacetyl)cyclohexan-1-amine oxide
CID 163118753
4-(cyclohexylmethyl)-1-[(2-methylcyclohexyl)methyl]piperidin-1-ium
CID 163127985
N-hydroxy-2-iodo-5-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
CID 163164378
2-ethoxy-N-hydroxy-5-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
CID 163155834
2-[[2-[bis(carboxylatomethyl)azaniumyl]cyclohexyl]-(carboxylatomethyl)azaniumyl]acetate
CID 3313383
1-(4-chlorocyclohexyl)-2-piperidin-1-ium-1-ylethanone
CID 163125371
1-ethylpiperidin-1-ium;hydrogen sulfate
CID 139910002
N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479160
N-(1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-ylmethyl)acetamide
CID 5014737
[(1S,9aS)-1,2,3,4,5,6,7,8,9,9a-decahydroquinolizin-5-ium-1-yl]methanethiol
CID 11860483

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide?
The IUPAC name of N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide (CID 163169804) is N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide.
What is the SMILES notation for N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide?
The canonical SMILES for N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide is [O-][NH+](O)C1CCCCC1C[NH+]1CCCCC1.
What is the InChIKey of N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide?
The InChIKey is RJBNTHBSAULWQX-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24N2O2/c15-14(16)12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h11-12,14-15H,1-10H2/p+1.
What are the key properties of N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide?
N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide has a molecular weight of 229.34 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide is sourced from PubChem (CID 163169804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).