N-(p-octylbenzoyl)-piperidin-4-ol (CHEBI:141775)

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ChEBI Name	N-(p-octylbenzoyl)-piperidin-4-ol

ChEBI ID	CHEBI:141775

ChEBI ASCII Name	N-(p-octylbenzoyl)-piperidin-4-ol

Definition	A tertiary carboxamide resulting from the formal condensation between of the carboxy group of p-octylbenzoic acid with the amino group of 4-hydroxypiperidine.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Ceri

Supplier Information

Download	Molfile XML SDF

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Formula

C20H31NO2

Net Charge

Average Mass

317.466

Monoisotopic Mass

317.23548

InChI

InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)20(23)21-15-13-19(22)14-16-21/h9-12,19,22H,2-8,13-16H2,1H3

InChIKey

SGUNQORPACNMOZ-UHFFFAOYSA-N

SMILES

C=1C(=CC=C(C1)C(N2CCC(CC2)O)=O)CCCCCCCC

Roles Classification
Biological Role(s):	EC 2.7.1.91 (sphingosine kinase) inhibitor An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of sphinganine kinase (EC 2.7.1.91).

ChEBI Ontology
Outgoing	N-(p-octylbenzoyl)-piperidin-4-ol (CHEBI:141775) has role EC 2.7.1.91 (sphingosine kinase) inhibitor (CHEBI:78760) N-(p-octylbenzoyl)-piperidin-4-ol (CHEBI:141775) is a N-acylpiperidine (CHEBI:48591) N-(p-octylbenzoyl)-piperidin-4-ol (CHEBI:141775) is a secondary alcohol (CHEBI:35681) N-(p-octylbenzoyl)-piperidin-4-ol (CHEBI:141775) is a tertiary carboxamide (CHEBI:140326)

IUPAC Name

(4-hydroxypiperidin-1-yl)(4-octylphenyl)methanone

Synonyms	Sources
(4-hydroxypiperidin-1-yl)-(4-octylphenyl)methanone	ChEBI
1-(p-octylbenzoyl)-piperidin-4-ol	ChEBI
4-hydroxy-1-(4-octylbenzoyl)-piperidine	ChEBI
4-hydroxy-1-(p-octylbenzoyl)-piperidine	ChEBI
BT-190	SUBMITTER
N-(4-octylbenzoyl)-piperidin-4-ol	ChEBI
RB-046	SUBMITTER

Registry Number	Type	Source
24627315	Reaxys Registry Number	Reaxys

Last Modified

20 September 2018