1-(2-Diisopropylaminoethyl)piperazine

C₁₂H₂₇N₃CAS 59955-93-0213.37 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₂₇N₃
Molar mass: 213.37 g/mol
Exact mass: 213.2205 Da
logP: 1.01Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59955-93-0

SMILES

CC(C)N(CCN1CCNCC1)C(C)C

InChIKey

IDWCYRNCJHGJAL-UHFFFAOYSA-N

InChI

InChI=1S/C12H27N3/c1-11(2)15(12(3)4)10-9-14-7-5-13-6-8-14/h11-13H,5-10H2,1-4H3

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Work with 1-(2-Diisopropylaminoethyl)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

Isopropylpiperazine4318-42-752 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-550 % similar 1-[2-(Dimethylamino)ethyl]piperazine3644-18-650 % similar N,N-Diethyl-2-(piperazin-1-yl)ethan-1-amine4038-92-050 % similar N-Isobutyl piperazine5308-28-148 % similar 1-(2-Piperidinoethyl)piperazine22763-65-148 % similar 1-Propylpiperazine21867-64-146 % similar 4-(2-Piperazin-1-yl-ethyl)-morpholine4892-89-144 % similar

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

Same formula

1-[2-(Dipropylamino)ethyl]piperazine496808-01-6

Elsewhere

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