2-(1-Piperazinyl)phenol

C₁₀H₁₄N₂OCAS 1011-17-2178.23 g/mol

Open in Covalent MOL file

Phenol Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₄N₂O
Molar mass: 178.23 g/mol
Exact mass: 178.1106 Da
logP: 0.80Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed88.6% of notifiers
H314 Causes severe skin burns and eye damage11.4% of notifiers
H315 Causes skin irritation88.6% of notifiers
H319 Causes serious eye irritation88.6% of notifiers
H335 May cause respiratory irritation88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

1011-17-2

SMILES

Oc1ccccc1N1CCNCC1

InChIKey

UORNTHBBLYBAJJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2

Weigh it out

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

Names and synonyms

6 names

Phenol, 2-(1-piperazinyl)-
Phenol, o-1-piperazinyl-
1-(2-Hydroxyphenyl)piperazine
N-(2-Hydroxyphenyl)piperazine
1-(o-Hydroxyphenyl)piperazine
o-(1-Piperazinyl)phenol

Work with 2-(1-Piperazinyl)phenol

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-(Pyrrolidin-1-yl)phenol4787-77-368 % similar 1-(2-Bromophenyl)piperazine1011-13-858 % similar 1-(2-Fluorophenyl)piperazine1011-15-056 % similar 1-(2-Chlorophenyl)piperazine39512-50-056 % similar 2-Mepp39512-51-156 % similar 1-(1-Naphthyl)piperazine57536-86-455 % similar 1-(2-Cyanophenyl)piperazine111373-03-653 % similar 1-(2-Ethylphenyl)piperazine40224-10-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N-Diethyl-4-nitrosoaniline120-22-9 3-(Morpholin-4-yl)aniline159724-40-0 4-Acetyl-4-methylheptanedinitrile1681-17-0 4-Morpholinoaniline2524-67-6 2-Morpholinoaniline5585-33-1 p-(1-Piperazinyl)phenol56621-48-8 N,N-Diethylnicotinamide59-26-7 1-(3-Hydroxyphenyl)piperazine59817-32-2

Elsewhere

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