1-(3-Diethylaminopropyl)piperazine

C₁₁H₂₅N₃CAS 22764-55-2199.34 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₂₅N₃
Molar mass: 199.34 g/mol
Exact mass: 199.2048 Da
logP: 0.62Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% 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

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

Identifiers

CAS number

22764-55-2

SMILES

CCN(CC)CCCN1CCNCC1

InChIKey

GNKLMCASMJQZKH-UHFFFAOYSA-N

InChI

InChI=1S/C11H25N3/c1-3-13(4-2)8-5-9-14-10-6-12-7-11-14/h12H,3-11H2,1-2H3

Weigh it out

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

Work with 1-(3-Diethylaminopropyl)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

N,N-Diethyl-2-(piperazin-1-yl)ethan-1-amine4038-92-081 % similar 1-Ethylhomopiperazine3619-73-674 % similar 1-Ethylpiperazine5308-25-871 % similar 1-Butylpiperazine5610-49-163 % similar N'-(2-Diethylaminoethyl)ethane-1,2-diamine24426-16-262 % similar N,N-Dimethyl-1-piperazinepropanamine877-96-360 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-559 % similar 1-Hexylpiperazine51619-55-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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