(3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride

C9H17ClN2O2 — CID 6419404

IUPAC(3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride
SMILESCC(=O)/C(CN1CCCCC1)=N\O.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-8(12)9(10-13)7-11-5-3-2-4-6-11;/h13H,2-7H2,1H3;1H/b10-9-;
InChIKeyNPBATJQZSGPZMH-KVVVOXFISA-N
MW220.70 g/mol
LogP1.31
Rot. Bonds3

About (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride

(3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride (PubChem CID 6419404) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride.

Molecular Properties

Compound Name(3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride
PubChem CID6419404
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name(3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride
SMILESCC(=O)/C(CN1CCCCC1)=N\O.Cl
InChIInChI=1S/C9H16N2O2.ClH/c1-8(12)9(10-13)7-11-5-3-2-4-6-11;/h13H,2-7H2,1H3;1H/b10-9-;
InChIKeyNPBATJQZSGPZMH-KVVVOXFISA-N
XLogP1.31
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride?
The IUPAC name of (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride (CID 6419404) is (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride.
What is the SMILES notation for (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride?
The canonical SMILES for (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride is CC(=O)/C(CN1CCCCC1)=N\O.Cl.
What is the InChIKey of (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride?
The InChIKey is NPBATJQZSGPZMH-KVVVOXFISA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c1-8(12)9(10-13)7-11-5-3-2-4-6-11;/h13H,2-7H2,1H3;1H/b10-9-;.
What are the key properties of (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride?
(3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-hydroxyimino-4-piperidin-1-ylbutan-2-one;hydrochloride is sourced from PubChem (CID 6419404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).