1-[2-(2,5-Dimethyl-1H-pyrrol-1-yl)ethyl]piperazine

C12H21N3CAS 5059-36-9207.32 g/mol

Open in Covalent MOL file
NNNH
Secondary amineTertiary amine

Properties

Molecular formula
C12H21N3
Molar mass
207.32 g/mol
Exact mass
207.1735 Da
logP
1.01Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
5059-36-9
SMILES
CC1=CC=C(N1CCN2CCNCC2)C
InChIKey
AUSXFRFXXDHSTC-UHFFFAOYSA-N
InChI
InChI=1S/C12H21N3/c1-11-3-4-12(2)15(11)10-9-14-7-5-13-6-8-14/h3-4,13H,5-10H2,1-2H3

Weigh it out

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Work with 1-[2-(2,5-Dimethyl-1H-pyrrol-1-yl)ethyl]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

1-(2-Phenylethyl)piperazine5321-49-341 % similar 1-(2-Imidazol-1-yl-ethyl)-piperazine381721-55-739 % similar 1-Propylpiperazine21867-64-139 % similar 4-Benzylpiperazine hydrochloride110475-31-538 % similar Benzylpiperazine dihydrochloride5321-63-138 % similar 1-[2-(Dimethylamino)ethyl]piperazine3644-18-638 % similar N,N-Diethyl-2-(piperazin-1-yl)ethan-1-amine4038-92-038 % similar 1-[2-(Dipropylamino)ethyl]piperazine496808-01-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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