4-Piperidone hydrochloride hydrate

C₅H₁₂ClNO₂CAS 320589-77-3153.61 g/mol

Open in Covalent MOL file

Ketone Secondary amine

Properties

Molecular formula: C₅H₁₂ClNO₂
Molar mass: 153.61 g/mol
Exact mass: 153.0557 Da
logP: -0.46Crippen estimate
Polar surface area: 60.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

320589-77-3

SMILES

C1CNCCC1=O.O.Cl

InChIKey

SXWRTZOXMUOJER-UHFFFAOYSA-N

InChI

InChI=1S/C5H9NO.ClH.H2O/c7-5-1-3-6-4-2-5;;/h6H,1-4H2;1H;1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Piperonylamine

Work with 4-Piperidone hydrochloride hydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Piperidone hydrochloride41979-39-9Anhydrous 4-Piperidinone41661-47-6Free base

Similar compounds

Azepan-4-one hydrochloride50492-22-371 % similar Pyrrolidin-3-one hydrochloride3760-52-963 % similar 3-Pyrrolidinone96-42-450 % similar Piperidin-3-one hydrochloride61644-00-646 % similar Azetidin-3-one Hydrochloride17557-84-546 % similar 4-Methylenepiperidine hydrochloride144230-50-242 % similar 2-Methylpiperidin-4-one hydrochloride13729-77-641 % similar Cyclen tetrahydrochloride10045-25-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 3-Dimethylaminopropionic acid hydrochloride14788-12-6 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-9

Elsewhere

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