Name: Name:1-Phenethylpiperidin-4-one
Brand: Angene
SKU: AG003ELH
Rating: 90 (10 reviews)

1-Phenethylpiperidin-4-one

CAS No.:

39742-60-4

Catalog Number:

AG003ELH

Molecular Formula:

C13H17NO

Molecular Weight:

203.2802

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Purity

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Product Description

Catalog Number:

AG003ELH

Chemical Name:

1-Phenethylpiperidin-4-one

CAS Number:

39742-60-4

Molecular Formula:

C13H17NO

Molecular Weight:

203.2802

MDL Number:

MFCD00006193

IUPAC Name:

1-(2-phenylethyl)piperidin-4-one

InChI:

InChI=1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2

InChI Key:

YDJXNYNKKXZBMP-UHFFFAOYSA-N

SMILES:

O=C1CCN(CC1)CCc1ccccc1

EC Number:

254-613-5

UNII:

CIS0S4O95K

NSC Number:

74494

Properties

Complexity:

199

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.285g/mol

Monoisotopic Mass:

203.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Nonpharmaceutical fentanyl-related deaths--multiple states, April 2005-March 2007.	MMWR. Morbidity and mortality weekly report 20080725
Control of a chemical precursor used in the illicit manufacture of fentanyl as a List I chemical. Final rule.	Federal register 20080725
Control of a chemical precursor used in the illicit manufacture of fentanyl as a List I chemical. Interim rule with request for comments.	Federal register 20070423

Properties