3-Piperazin-1-yl-propionic acid

C₇H₁₄N₂O₂CAS 27245-31-4158.20 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₄N₂O₂
Molar mass: 158.20 g/mol
Exact mass: 158.1055 Da
logP: -0.63Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

27245-31-4

SMILES

C1CN(CCN1)CCC(=O)O

InChIKey

RSEHHYMPNZWTGQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2O2/c10-7(11)1-4-9-5-2-8-3-6-9/h8H,1-6H2,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

3-(1-Piperazinyl)propionic acid

Work with 3-Piperazin-1-yl-propionic acid

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

2-(Piperazin-1-yl)-acetic acid H2O37478-58-367 % similar 3-Morpholin-4-yl-propionic acid4497-04-559 % similar Piperazine adipate142-88-156 % similar 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid242459-97-847 % similar 4-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-4-oxo-butyric acid717904-43-347 % similar Succinic acid110-15-646 % similar 3-Dimethylaminopropionic acid hydrochloride14788-12-644 % similar 3-Maleimidopropionic acid7423-55-444 % similar

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

Same formula

Ethyl 1-piperazinecarboxylate120-43-4 (4-Methyl-piperazin-1-yl)-acetic acid54699-92-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook