Name: Name:2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
Brand: Angene
SKU: AG019PJ8
Rating: 90 (10 reviews)

2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile

CAS No.:

877825-73-5

Catalog Number:

AG019PJ8

Molecular Formula:

C13H17N3O

Molecular Weight:

231.2936

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Product Description

Catalog Number:

AG019PJ8

Chemical Name:

2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile

CAS Number:

877825-73-5

Molecular Formula:

C13H17N3O

Molecular Weight:

231.2936

MDL Number:

MFCD07847854

IUPAC Name:

2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile

InChI:

InChI=1S/C13H17N3O/c1-15-6-8-16(9-7-15)13(10-14)11-2-4-12(17)5-3-11/h2-5,13,17H,6-9H2,1H3

InChI Key:

PMWBLBVQEKZKNT-UHFFFAOYSA-N

SMILES:

CN1CCN(CC1)C(c1ccc(cc1)O)C#N

Properties

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.299g/mol

Monoisotopic Mass:

231.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.5A^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