N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride

C7H15ClN2O — CID 53395422

IUPACN-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride
SMILESCCN1CCCC(=NO)C1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-2-9-5-3-4-7(6-9)8-10;/h10H,2-6H2,1H3;1H
InChIKeyTYHIWTMODLXOMO-UHFFFAOYSA-N
MW178.66 g/mol
LogP1.35
Rot. Bonds1

About N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride

N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride (PubChem CID 53395422) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride
PubChem CID53395422
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC NameN-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride
SMILESCCN1CCCC(=NO)C1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-2-9-5-3-4-7(6-9)8-10;/h10H,2-6H2,1H3;1H
InChIKeyTYHIWTMODLXOMO-UHFFFAOYSA-N
XLogP1.35
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-ylidene)hydroxylamine;hydrochloride?
The IUPAC name of N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride (CID 53395422) is N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride.
What is the SMILES notation for N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride?
The canonical SMILES for N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride is CCN1CCCC(=NO)C1.Cl.
What is the InChIKey of N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride?
The InChIKey is TYHIWTMODLXOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-2-9-5-3-4-7(6-9)8-10;/h10H,2-6H2,1H3;1H.
What are the key properties of N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride?
N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-ylidene)hydroxylamine;hydrochloride is sourced from PubChem (CID 53395422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).