1-Cyclooctylpiperazine

C₁₂H₂₄N₂CAS 21043-43-6196.34 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₂₄N₂
Molar mass: 196.34 g/mol
Exact mass: 196.1939 Da
logP: 2.00Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

21043-43-6

SMILES

C1CCCC(CCC1)N2CCNCC2

InChIKey

PXPPUXBOQHHYEJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H24N2/c1-2-4-6-12(7-5-3-1)14-10-8-13-9-11-14/h12-13H,1-11H2

Weigh it out

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

Work with 1-Cyclooctylpiperazine

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

1-Cyclohexylpiperazine17766-28-8100 % similar 1-Cycloheptylpiperazine21043-42-5100 % similar 1-Cyclopentylpiperazine21043-40-394 % similar 1-Cyclopropylpiperazine20327-23-574 % similar 1,4′-Bipiperidine4897-50-168 % similar 1-Cyclopropylpiperazine dihydrochloride139256-79-464 % similar 4-(1-Pyrrolidinyl)piperidine5004-07-964 % similar 1,4′-Bipiperidine, hydrochloride (1:2)4876-60-260 % similar

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

Elsewhere

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