1-[2-(Dipropylamino)ethyl]piperazine

C₁₂H₂₇N₃CAS 496808-01-6213.37 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: 7

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

496808-01-6

SMILES

CCCN(CCC)CCN1CCNCC1

InChIKey

NQRQMDMOABSDEK-UHFFFAOYSA-N

InChI

InChI=1S/C12H27N3/c1-3-7-14(8-4-2)11-12-15-9-5-13-6-10-15/h13H,3-12H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

N-(2-(Piperazin-1-yl)ethyl)-N-propylpropan-1-amine

Work with 1-[2-(Dipropylamino)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-Propylpiperazine21867-64-194 % similar 1-Propylpiperazine dihydrobromide64262-23-381 % similar 1-Butylpiperazine5610-49-168 % similar N,N-Diethyl-2-(piperazin-1-yl)ethan-1-amine4038-92-064 % similar 1-Hexylpiperazine51619-55-763 % similar 1-Octylpiperazine54256-45-063 % similar 1-Decylpiperazine63207-03-463 % similar 1-Heptylpiperazine82502-77-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Diisopropylaminoethyl)piperazine59955-93-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook