1-((Pyrrolidine-1-carbonyl)methyl)piperazine

C₁₀H₁₉N₃OCAS 39890-45-4197.28 g/mol

Open in Covalent MOL file

Amide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₉N₃O
Molar mass: 197.28 g/mol
Exact mass: 197.1528 Da
Melting point: 90 °C
logP: -0.49Crippen estimate
Polar surface area: 35.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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 2 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

39890-45-4

SMILES

O=C(CN1CCNCC1)N1CCCC1

InChIKey

KYBCXTTWIOZBNR-UHFFFAOYSA-N

InChI

InChI=1S/C10H19N3O/c14-10(13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2

Weigh it out

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

Names and synonyms

15 names · show all

2-(1-Piperazinyl)-1-(1-pyrrolidinyl)ethanone
Ethanone, 2-(1-piperazinyl)-1-(1-pyrrolidinyl)-
Pyrrolidine, 1-(1-piperazinylacetyl)-
1-Pyrrolidinocarbonylmethylpiperazine
1-(1-Pyrrolidinylcarbonylmethyl)piperazine
1-[(1-Piperazinylmethyl)carbonyl]pyrrolidine
N-Pyrrolidinocarbonylmethylpiperazine
1-(1-Piperazinylacetyl)pyrrolidine
N-[2-(1-Piperazinyl)acetyl]pyrrolidine
2-(Piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone
1-(2-Oxo-2-pyrrolidin-1-ylethyl)piperazine
NSC 330748
1-[2-(Piperazin-1-yl)acetyl]pyrrolidine
1-(2-(Pyrrolidin-1-yl)-2-oxoethyl)piperazine
2-(Piperazin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one

Work with 1-((Pyrrolidine-1-carbonyl)methyl)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

4-(1-Piperazinylacetyl)morpholine39890-46-570 % similar N,N-Dimethyl-2-(piperazin-1-yl)acetamide39890-43-260 % similar 2-(Piperazin-1-yl)-acetic acid H2O37478-58-348 % similar 2-Chloro-1-(1-pyrrolidinyl)ethanone20266-00-645 % similar 1-[2-(1-Pyrrolidinyl)ethyl]piperazine22763-69-544 % similar 2-Chloro-1-(1-piperidinyl)ethanone1440-60-443 % similar 1-(2-Piperidinoethyl)piperazine22763-65-143 % similar Ethyl piperazine-1-acetate40004-08-842 % similar

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

Elsewhere

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