1-Pyrimidin-2-yl-piperidin-4-one

Modify Date: 2025-09-01 11:58:55

1-Pyrimidin-2-yl-piperidin-4-one Structure
1-Pyrimidin-2-yl-piperidin-4-one structure
Common Name 1-Pyrimidin-2-yl-piperidin-4-one
CAS Number 116247-92-8 Molecular Weight 177.20300
Density 1.225g/cm3 Boiling Point 366.8ºC at 760mmHg
Molecular Formula C9H11N3O Melting Point 73-75ºC
MSDS USA Flash Point 175.6ºC

 Names

Name 1-Pyrimidin-2-yl-piperidin-4-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.225g/cm3
Boiling Point 366.8ºC at 760mmHg
Melting Point 73-75ºC
Molecular Formula C9H11N3O
Molecular Weight 177.20300
Flash Point 175.6ºC
Exact Mass 177.09000
PSA 46.09000
LogP 0.71090
Vapour Pressure 1.43E-05mmHg at 25°C
Index of Refraction 1.568
InChIKey ORFPLVFPQNNBST-UHFFFAOYSA-N
SMILES O=C1CCN(c2ncccn2)CC1

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases 22
HS Code 2933990090

 Synthetic Route

~64%

1-Pyrimidin-2-yl-piperidin-4-one Structure

1-Pyrimidin-2-y...

CAS#:116247-92-8

Literature: LEXICON PHARMACEUTICALS, INC. Patent: WO2008/58064 A1, 2008 ; Location in patent: Page/Page column 17 ; WO 2008/058064 A1

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1-Pyrimidin-2-yl-piperidin-4-one Structure

1-Pyrimidin-2-y...

CAS#:116247-92-8

Literature: WO2008/58064 A1, ; Page/Page column 20 ; WO 2008/058064 A1

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

1-(2-Pyrimidinyl)tetrahydro-4(1H)-pyridinone
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