Piperidin-3-one hydrochloride

C5H10ClNOCAS 61644-00-6135.59 g/mol

Open in Covalent MOL file
OHNHCl
KetoneSecondary amine

Properties

Molecular formula
C5H10ClNO
Molar mass
135.59 g/mol
Exact mass
135.0451 Da
logP
0.36Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
61644-00-6
SMILES
C1CC(=O)CNC1.Cl
InChIKey
KDHKOJFFKXGPKZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO.ClH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H

Weigh it out

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

Work with Piperidin-3-one hydrochloride

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

Similar compounds

Pyrrolidin-3-one hydrochloride3760-52-974 % similar Azepan-4-one hydrochloride50492-22-368 % similar 3-Pyrrolidinone96-42-461 % similar Azetidin-3-one Hydrochloride17557-84-557 % similar 4-Piperidone hydrochloride hydrate320589-77-346 % similar 4-Piperidinone41661-47-640 % similar 2-Methylpiperidin-4-one hydrochloride13729-77-639 % similar Cyclobutanone1191-95-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-N-(1-methylethyl)acetamide2895-21-8 (1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptane hcl31560-06-2 4-Piperidone hydrochloride41979-39-9 Diethylcarbamoyl chloride88-10-8

Elsewhere

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