N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide

C14H27N2O3+ — CID 163171817

IUPACN-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
SMILESCC1CCC[NH+](CC(=O)C2CCC([NH+]([O-])O)CC2)C1
InChIInChI=1S/C14H26N2O3/c1-11-3-2-8-15(9-11)10-14(17)12-4-6-13(7-5-12)16(18)19/h11-13,16,18H,2-10H2,1H3/p+1
InChIKeyOOYMOINQWSGYGE-UHFFFAOYSA-O
MW271.38 g/mol
LogP-0.80
Rot. Bonds4

About N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide

N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide (PubChem CID 163171817) has the molecular formula C14H27N2O3+ and a molecular weight of 271.38 g/mol. Its IUPAC name is N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide.

Molecular Properties

Compound NameN-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
PubChem CID163171817
Molecular FormulaC14H27N2O3+
Molecular Weight271.38 g/mol
Exact Mass271.20
IUPAC NameN-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide
SMILESCC1CCC[NH+](CC(=O)C2CCC([NH+]([O-])O)CC2)C1
InChIInChI=1S/C14H26N2O3/c1-11-3-2-8-15(9-11)10-14(17)12-4-6-13(7-5-12)16(18)19/h11-13,16,18H,2-10H2,1H3/p+1
InChIKeyOOYMOINQWSGYGE-UHFFFAOYSA-O
XLogP-0.80
TPSA69.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 5-0.80
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-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide?
The IUPAC name of N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide (CID 163171817) is N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide.
What is the SMILES notation for N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide?
The canonical SMILES for N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide is CC1CCC[NH+](CC(=O)C2CCC([NH+]([O-])O)CC2)C1.
What is the InChIKey of N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide?
The InChIKey is OOYMOINQWSGYGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H26N2O3/c1-11-3-2-8-15(9-11)10-14(17)12-4-6-13(7-5-12)16(18)19/h11-13,16,18H,2-10H2,1H3/p+1.
What are the key properties of N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide?
N-hydroxy-4-[2-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide has a molecular weight of 271.38 g/mol, XLogP of -0.80, 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-(3-methylpiperidin-1-ium-1-yl)acetyl]cyclohexan-1-amine oxide is sourced from PubChem (CID 163171817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).