1-Benzylpiperazine

C₁₁H₁₆N₂CAS 2759-17-3176.26 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₆N₂
Molar mass: 176.26 g/mol
Exact mass: 176.1313 Da
logP: 1.09Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

2759-17-3

SMILES

C1CN(CCN1)CC2=CC=CC=C2

InChIKey

IQXXEPZFOOTTBA-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2

Weigh it out

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

Reactions

1-BENZYLPIPERAZINE (Piperazine, 1-benzyl-)product

Work with 1-Benzylpiperazine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzylpiperazine dihydrochloride5321-63-1Salt 4-Benzylpiperazine hydrochloride110475-31-5Salt 1-Benzylpiperazine2759-28-6

Similar compounds

1-Benzyl-1,4-diazepane4410-12-288 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-570 % similar 1-(2-Phenylethyl)piperazine5321-49-369 % similar Plerixafor110078-46-168 % similar 3-Benzyl-3,9-diaza-spiro[5.5]undecane189333-49-167 % similar 1-(3-Methylbenzyl)piperazine5321-48-265 % similar 1-(4-Chlorobenzyl)piperazine23145-88-262 % similar 1-Benzylpiperidine2905-56-862 % similar

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

Same formula

(3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-7 (3R)-1-Benzylpyrrolidin-3-amine114715-39-8 1-Benzyl-3-aminopyrrolidine18471-40-4 4-(Piperidin-1-yl)aniline2359-60-6 1-(2-Methylphenyl)piperazine39512-51-1 1-(4-Methylphenyl)piperazine39593-08-3 2-(Piperidin-1-yl)aniline39643-31-7

Elsewhere

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