2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide

C14H29N2O2+ — CID 163177536

IUPAC2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide
SMILESCC1CCC(C)[NH+](CC2CCCCC2[NH+]([O-])O)C1
InChIInChI=1S/C14H28N2O2/c1-11-7-8-12(2)15(9-11)10-13-5-3-4-6-14(13)16(17)18/h11-14,16-17H,3-10H2,1-2H3/p+1
InChIKeyBHKJIKMXEPYVRY-UHFFFAOYSA-O
MW257.40 g/mol
LogP0.02
Rot. Bonds3

About 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide

2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide (PubChem CID 163177536) has the molecular formula C14H29N2O2+ and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide.

Molecular Properties

Compound Name2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide
PubChem CID163177536
Molecular FormulaC14H29N2O2+
Molecular Weight257.40 g/mol
Exact Mass257.22
IUPAC Name2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide
SMILESCC1CCC(C)[NH+](CC2CCCCC2[NH+]([O-])O)C1
InChIInChI=1S/C14H28N2O2/c1-11-7-8-12(2)15(9-11)10-13-5-3-4-6-14(13)16(17)18/h11-14,16-17H,3-10H2,1-2H3/p+1
InChIKeyBHKJIKMXEPYVRY-UHFFFAOYSA-O
XLogP0.02
TPSA52.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.02
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
N-hydroxy-2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-amine oxide
CID 163169804
N-hydroxy-4-methylcyclohexan-1-amine oxide
CID 163989448
N-hydroxy-2-iodo-5-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
CID 163164378
N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
CID 163171817
2-ethoxy-N-hydroxy-5-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
CID 163155834
butane;methylcyclopentane
CID 142053859
4-[2-(2,4-dimethylpiperidin-1-ium-1-yl)acetyl]-N-hydroxycyclohexan-1-amine oxide
CID 163166433
cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid
CID 66625513
2-methyl-1-nonylpiperidin-1-ium acetate
CID 171569648
1-(cyclohexylmethyl)-3-methylpiperidin-1-ium
CID 163117074
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide?
The IUPAC name of 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide (CID 163177536) is 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide.
What is the SMILES notation for 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide?
The canonical SMILES for 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide is CC1CCC(C)[NH+](CC2CCCCC2[NH+]([O-])O)C1.
What is the InChIKey of 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide?
The InChIKey is BHKJIKMXEPYVRY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H28N2O2/c1-11-7-8-12(2)15(9-11)10-13-5-3-4-6-14(13)16(17)18/h11-14,16-17H,3-10H2,1-2H3/p+1.
What are the key properties of 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide?
2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide has a molecular weight of 257.40 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpiperidin-1-ium-1-yl)methyl]-N-hydroxycyclohexan-1-amine oxide is sourced from PubChem (CID 163177536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).