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

HCID 808715CAS 62089-74-1

Substructure search Find similar structures

Basic information

Standard SMILES: c1cc(CN2CCNCC2)ccn1
InChIKey: XZYLSJPLCLKCMR-UHFFFAOYSA-N
Molecular formula: C10H15N3
Average molar mass: 177.25 g/mol
Monoisotopic mass: 177.12659748

Names & identifiers

Preferred name: 1-((Pyridin-4-yl)methyl)piperazine
IUPAC: 1-(pyridin-4-ylmethyl)piperazine
English name: 1-(4-Pyridylmethyl)piperazine
Molecular formula: C10H15N3
Molecular weight: 177.25

Names & synonyms

1-[(pyridin-4-yl)methyl]piperazine1-((pyridin-4-yl)methyl)piperazineRefChem:418907671-476-01-(pyridin-4-ylmethyl)piperazine62089-74-11-(4-pyridylmethyl)piperazine(4-Pyridylmethyl)piperazineMFCD013208921-(4-pyridinylmethyl)-piperazine1-(4-pyridinylmethyl)piperazine1-[(4-Pyridyl)methyl]piperazine

Show more names

AKOS B004019AKOS BBS-00002872BUTTPARK 82\12-10ART-CHEM-BB B004019RARECHEM AH CK 0192TIMTEC-BB SBB003770Pyridylmethylpiperazine

1-Pyridin-4-ylmethyl-piperazineF2158-0093Piperazine, 1-(4-pyridinylmethyl)-1-(4-PYRIDYLMETHYL)-PIPERAZINEPiperazine,1-(4-pyridinylmethyl)-Oprea1_553077Oprea1_832933SCHEMBL209327

Database identifiers

CAS: 62089-74-1
PubChem CID: 808715
DTXSID: DTXSID20355605
EC Number: 671-476-0

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 137

Physicochemical properties

Boiling point: 68 °C · 68°C 0,15mm
Density: 1.073 · 1.073
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 9.01 · 9.01±0.10(Predicted)
color: Clear Colourless to Pale Yellow
CAS DataBase Reference: 62089 · 62089-74-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

Uses1-(4-Pyridinylmethyl)-piperazine is used in the synthesis of cathespin B inhibitors. Also used in the synthesis of piperidine/piperazine derivatives as CCR5 antagonist-based HIV-1 inhibitors.