CAS 84163-16-6|5-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride|5-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochloride|5-Fluoro-3-(piperidin-4-yl)-1,2-benzisoxazole hydrochloride 97%|5-...

Molecular Formula

C₁₂H₁₄ClFN₂O

Molecular Mass

256.7037632

Exact Mass

256.07786898

InChI

InChI=1S/C12H13FN2O.ClH/c13-9-1-2-11-10(7-9)12(15-16-11)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H

InChIKey

HSOJFILHZZEWJT-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc2c(c1)c(no2)C1CCNCC1.Cl

Isomeric Smiles

n1c(C2CCNCC2)c2c(ccc(c2)F)o1.Cl

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-1.4757301

LogD (pH = 7.4)

-0.65965056

Log P

1.7343191

Molar Refractivity

59.0672

Polarizability

23.407766

Polar Surface Area

38.06

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

2794754

IUPAC name

5-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochloride

Synonyms

5-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride5-Fluoro-3-(piperidin-4-yl)-1,2-benzisoxazole hydrochloride 97%4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidine hydrochloride5-氟-3-(4-哌啶基)-1,2-苯并异恶唑盐酸盐5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride

IUPAC Traditional name

5-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochloride

CAS Number

84163-16-6

MDL Number

MFCD06200879

PubChem SID

162081765

Physical Property