1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine

HCID 622669

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 21279-77-6
Standard SMILES: COc1ccccc1N1CCN(CCCCl)CC1
InChIKey: OIZBMQFOSPOOIS-UHFFFAOYSA-N
Molecular formula: C14H21ClN2O
Average molar mass: 268.78 g/mol
Monoisotopic mass: 268.13424097

Names & identifiers

Preferred name: 1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine
IUPAC: 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine
English name: 1-(2-Methoxyphenyl)-4-(3-chloropropyl)piperazine dihydrochloride
Molecular formula: C14H21ClN2O
Molecular weight: 268.78

Names & synonyms

1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazineSCHEMBL1255253SCHEMBL30206503DTXSID00943781AKOS0091582951-(3-chloropropyl)-4-(2-methoxyphenyl)-piperazine1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine #Piperazine, 1-(3-chloropropyl)-4-(2-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-chloropropane1-chloro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propane1-[4-(2-methoxyphenyl)-piperazin-1-yl]-3-chloropropane1-[4-(2-methoxyphenyl)-piperazine-1-yl]-3-chloropropane

Show more names

RARECHEM AH CK 00731-(3-Chloropropyl)-4-(2-methoxyp1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazineHCl1-(3-CHLORO-PROPYL)-4-(2-METHOXY-PHENYL)-PIPERAZINE1-(2-Methoxyphenyl)-4-(3-chloropropyl)piperazine.2HCI1-(2-Methoxyphenyl)-4-(3-chloropropyl)piperazine*2HCl1-(3-CHLOROPROPYL)-4-(2-METHOXYPHENYL)-PIPERAZINE 2 HCL1-(3-CHLOROPROPYL)-4-(2-METHOXYPHENYL)-PIPERAZINE X 2 HCL1-(3-CHLOROPROPYL)-4-(2-METHOXYPHENYL)-PIPERAZINE X 2 HCL 98%

1-chloro-3-[4-(2-methoxyphenyl)-piperazin-1-yl]propane

Database identifiers

CAS: 21279-77-6
PubChem CID: 622669
DTXSID: DTXSID00943781
Nikkaji: J1.266.844I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 15.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 232

Physicochemical properties

Melting point: 225 °C · 225°C (dec.)
Boiling point: 392.9 · 392.9±42.0 °C(Predicted)
Density: 1.109 · 1.109±0.06 g/cm3(Predicted)
pka: 7.28 · 7.28±0.10(Predicted)
CAS DataBase Reference: 21279 · 21279-77-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2933599590 · 2933599590

Safety & regulation

Safety data

hs_code: 2933599590
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P