N-(3-CHLOROPROPYL)PIPERIDINE HYDROCHLORIDE

The IUPAC name of 1-(3-Chloropropyl)piperidine monohydrochloride is 1-(3-chloropropyl)piperidine hydrochloride. With the CAS registry number 5472-49-1, it is also named as Piperidinopropyl chloride, hydrochloride. The product's categories are Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Piperidines; Piperidines Heterocyclic Building Blocks. Besides, it should be stored in a sealed, cool and dry place. In addition, its molecular formula is C₈H₁₆ClN^.HCl and molecular weight is 198.13.

The other characteristics of this product can be summarized as: (1)EINECS: 226-812-7; (2)ACD/LogP: 2.31; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -0.72; (5)ACD/LogD (pH 7.4): 0.35; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 4.66; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 3.24 Å²; (14)Flash Point: 85.2 °C; (15)Melting Point: 219-223 °C; (16)Enthalpy of Vaporization: 45.37 kJ/mol; (17)Boiling Point: 217.3 °C at 760 mmHg; (18)Vapour Pressure: 0.134 mmHg at 25 °C.

Uses of 1-(3-Chloropropyl)piperidine monohydrochloride: it can react with 6-hydroxy-11H-dibenzo[b,f]thiepin-10-one to get 6-(3-piperidin-1-yl-propoxy)-11H-dibenzo[b,f]thiepin-10-one.



This reaction needs sodium ethoxide and ethanol by heating for 8.5 hours. The yield is 85 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1CCN(CC1)CCCCl.Cl
(2)InChI: InChI=1S/C8H16ClN.ClH/c9-5-4-8-10-6-2-1-3-7-10;/h1-8H2;1H
(3)InChIKey: OBOBUDMMFXRNDO-UHFFFAOYSA-N