1-(1-Piperidinylsulfonyl)piperazine

C₉H₁₉N₃O₂SCAS 500587-48-4233.33 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₉H₁₉N₃O₂S
Molar mass: 233.33 g/mol
Exact mass: 233.1198 Da
logP: -0.38Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

500587-48-4

SMILES

O=S(=O)(N1CCCCC1)N1CCNCC1

InChIKey

DRAVEXQQEXRRDS-UHFFFAOYSA-N

InChI

InChI=1S/C9H19N3O2S/c13-15(14,11-6-2-1-3-7-11)12-8-4-10-5-9-12/h10H,1-9H2

Weigh it out

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

Names and synonyms

4 names

Piperazine, 1-(1-piperidinylsulfonyl)-
NSC 142486
1-(Piperidin-1-ylsulfonyl)piperazine
1-(Piperidine-1-sulfonyl)piperazine

Work with 1-(1-Piperidinylsulfonyl)piperazine

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

Piperazine-1-sulfonic acid dimethylamide98961-97-859 % similar 1-Methanesulfonyl-piperazine55276-43-246 % similar 1-Ethylsulfonyl-piperazine62937-96-643 % similar 1-(2-Piperidinoethyl)piperazine22763-65-142 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-538 % similar 1-Benzenesulfonyl-piperazine14172-55-538 % similar 1-Hexylpiperazine51619-55-735 % similar 1-Octylpiperazine54256-45-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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