N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine

C7H15N2O+ — CID 7064913

IUPACN-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine
SMILESCC[NH+]1CCC(=NO)CC1
InChIInChI=1S/C7H14N2O/c1-2-9-5-3-7(8-10)4-6-9/h10H,2-6H2,1H3/p+1
InChIKeyIIQOVJQOSPDVCT-UHFFFAOYSA-O
MW143.21 g/mol
LogP-0.48
Rot. Bonds1

About N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine

N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine (PubChem CID 7064913) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine
PubChem CID7064913
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC NameN-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine
SMILESCC[NH+]1CCC(=NO)CC1
InChIInChI=1S/C7H14N2O/c1-2-9-5-3-7(8-10)4-6-9/h10H,2-6H2,1H3/p+1
InChIKeyIIQOVJQOSPDVCT-UHFFFAOYSA-O
XLogP-0.48
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine?
The IUPAC name of N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine (CID 7064913) is N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine?
The canonical SMILES for N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine is CC[NH+]1CCC(=NO)CC1.
What is the InChIKey of N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine?
The InChIKey is IIQOVJQOSPDVCT-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O/c1-2-9-5-3-7(8-10)4-6-9/h10H,2-6H2,1H3/p+1.
What are the key properties of N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine?
N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine has a molecular weight of 143.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-1-ium-4-ylidene)hydroxylamine is sourced from PubChem (CID 7064913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).