1-((Pyridin-4-yl)methyl)piperazine

C₁₀H₁₅N₃CAS 62089-74-1177.25 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₅N₃
Molar mass: 177.25 g/mol
Exact mass: 177.1266 Da
logP: 0.49Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

62089-74-1

SMILES

C1CN(CCN1)CC2=CC=NC=C2

InChIKey

XZYLSJPLCLKCMR-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N3/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2

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

Names and synonyms

1 names

1-(4-Pyridylmethyl)piperazine

Work with 1-((Pyridin-4-yl)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

1-Benzylpiperazine2759-17-364 % similar 1-Benzylpiperazine2759-28-664 % similar Plerixafor110078-46-158 % similar 4-Benzylpiperazine hydrochloride110475-31-558 % similar 1-(4-Chlorobenzyl)piperazine23145-88-258 % similar 1-Benzyl-1,4-diazepane4410-12-258 % similar Benzylpiperazine dihydrochloride5321-63-158 % similar 1-(4-Fluorobenzyl)piperazine70931-28-158 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Methyl-2-pyridinyl)piperazine34803-67-3 1-[(Pyridin-3-yl)methyl]piperazine39244-80-9 1-Pyridin-2-ylmethyl-piperazine55579-01-6

Elsewhere

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