Name: Name:1-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one
Brand: Angene
SKU: AG019PJV
Rating: 90 (10 reviews)

1-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one

CAS No.:

203438-46-4

Catalog Number:

AG019PJV

Molecular Formula:

C13H15NO2

Molecular Weight:

217.2637

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG019PJV

Chemical Name:

1-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one

CAS Number:

203438-46-4

Molecular Formula:

C13H15NO2

Molecular Weight:

217.2637

MDL Number:

MFCD07850227

IUPAC Name:

1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

InChI:

InChI=1S/C13H15NO2/c1-10(15)14-8-6-12(7-9-14)11-2-4-13(16)5-3-11/h2-6,16H,7-9H2,1H3

InChI Key:

BRVDNGAEPQQJOY-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)C1=CCN(CC1)C(=O)C

Properties

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.268g/mol

Monoisotopic Mass:

217.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101