1-Benzylpiperazin-2-one

C₁₁H₁₄N₂OCAS 59702-21-5190.25 g/mol

Open in Covalent MOL file

Amide Lactam Secondary amine

Properties

Molecular formula: C₁₁H₁₄N₂O
Molar mass: 190.25 g/mol
Exact mass: 190.1106 Da
logP: 0.62Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59702-21-5

SMILES

C1CN(C(=O)CN1)CC2=CC=CC=C2

InChIKey

BNPCRHWMJSUKDM-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O/c14-11-8-12-6-7-13(11)9-10-4-2-1-3-5-10/h1-5,12H,6-9H2

Weigh it out

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

Names and synonyms

1 names

1-Benzylpiperazine-2-one

Work with 1-Benzylpiperazin-2-one

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-Benzyl-3-pyrrolidone5291-77-058 % similar Benzyl piperazine-1-carboxylate31166-44-649 % similar 1-Benzylpiperazine2759-17-349 % similar 1-Benzylpiperazine2759-28-649 % similar Benzoylpiperazine hydrochloride56227-55-548 % similar Benzyl 1,4-diazepane-1-carboxylate117009-97-945 % similar 4-Benzylpiperazine hydrochloride110475-31-545 % similar 1-Benzyl-1,4-diazepane4410-12-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzoylpiperazine13754-38-6 1-Phenyl-4,4-dimethyl-3-pyrazolidone2654-58-2 L-Tryptophanol2899-29-8 6-Methoxytryptamine3610-36-4 Cytisine485-35-8 D-Tryptophanol52485-52-6 1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone57756-36-2 5-Methoxytryptamine608-07-1

Elsewhere

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