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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 70517Generated: October 23, 2026

1-(4-Pyridyl)piperazine

BUTTPARK 82\08-09 · Pyridyl)piperazin · RARECHEM AH CK 0194 · 4-pyridyl piperazine · 4-PIPERAZINOPYRIDINE · LABOTEST-BB LT00233138 · 1-(4-PYRIDYL)PIPERAZINE · 4-(1-Piperazino)pyridine

https://huagongshe.com/en/chemical/70517

1-(4-Pyridyl)piperazine molecular structure

Identifiers & Physical Properties

CAS No.1008-91-9
Molecular formulaC9H13N3
Average molar mass163.22 g/mol
Monoisotopic mass163.11094742 g/mol
SMILESc1cc(N2CCNCC2)ccn1
InChIKeyOQZBAQXTXNIPRA-UHFFFAOYSA-N
PubChem CID70517
ChEMBLCHEMBL339069
EC No.213-764-7
DTXSIDDTXSID80143520

Chemical & Physical Properties

XLogP0.3
Topological polar surface area28.2
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds1
Heavy atoms12
Formal charge0
Complexity126
Melting point137-141 °C
Boiling point195-200°C 0,3mm
Density1.081±0.06 g/cm3(Predicted)
Flash point195-200°C/0.3mm
Storage conditionsunder inert gas (nitrogen or Argon) at 2–8 °C
Solubilitysoluble in MethanolSoluble in water.
Physical statepowder to crystal
pKa (acidity coefficient)10.73±0.10(Predicted)
ColorWhite to Light yellow
SensitivityAir Sensitive
BRN609705
StabilityAir Sensitive
InChI1S/C9H13N3/c1-3-10-4-2-9(1)12-7-5-11-6-8-12/h1-4,11H,5-8H2
InChIKeyOQZBAQXTXNIPRA-UHFFFAOYSA-N
SMILESC1CN(CCN1)c2ccncc2
CAS DataBase Reference1008-91-9(CAS DataBase Reference)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS05
Signal wordDanger
GHS hazard statementsH314
GHS precautionary statementsP280-P305+P351+P338-P310
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard symbolsC,Xi
Risk statements (R)34-36/37/38
Safety statements (S)26-36/37/39-45-36-37/38/39
UN transport numberUN 3259 8/PG 2
Water hazard class (WGK)3
F10-34
Hazard NoteIrritant
Hazard class8Eye Dam. 1Skin Corr. 1B
Packing groupII
Customs code29335990
Storage class8A - Combustible corrosive hazardous materials
Limited quantities1 Kg (2.2 lbs) (solid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & Regulations

GHS classificationDangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
F10-34
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Water hazard class (WGK)3
UN transport numberUN 3259 8/PG 2
Customs code29335990
Risk statements (R)34-36/37/38
Signal wordDanger
GHS pictogramGHS05
Hazard symbolsC,Xi
hazard_noteIrritant
Safety statements (S)26-36/37/39-45-36-37/38/39
Hazard class8Eye Dam. 1Skin Corr. 1B
Storage class8A - Combustible corrosive hazardous materials
Packing groupII
GHS hazard statementsH314
Limited quantities1 Kg (2.2 lbs) (solid)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
GHS precautionary statementsP280-P305+P351+P338-P310

Applications & Uses

Uses

1-(4-Pyridyl)piperazine is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It is also used to produce 1-pyridin-4-yl-4-(4-vinyl-benzyl)-piperazine with 1-(chloromethyl)-4-vinylbenzene by heating.

General Description

1-(4-Pyridyl) piperazine (or 4-Piperazinopyridine) is an active structural component that is used as a building block to prepare various medicinally important active molecules.