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Structure

1-(Cyclopropylcarbonyl)-4-(1-([6-(trifluoromethyl)pyridin-3-yl]methyl)piperidin-4-yl)piperazine

CAS
909670-30-0
Catalog Number
ACM909670300
Category
Other Products
Molecular Weight
396.4497896
Molecular Formula
C20H27F3N4O

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Specification

Synonyms
1-(CYCLOPROPYLCARBONYL)-4-(1-([6-(TRIFLUOROMETHYL)PYRIDIN-3-YL]METHYL)PIPERIDIN-4-YL)PIPERAZINE
What is the molecular formula of the compound?

The molecular formula is C20H27F3N4O.

When was the compound created and last modified according to PubChem?

The compound was created on February 29, 2008, and last modified on December 30, 2023.

What is the IUPAC name of the compound?

The IUPAC name is cyclopropyl-[4-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]piperidin-4-yl]piperazin-1-yl]methanone.

What is the InChI of the compound?

The InChI is InChI=1S/C20H27F3N4O/c21-20(22,23)18-4-1-15(13-24-18)14-25-7-5-17(6-8-25)26-9-11-27(12-10-26)19(28)16-2-3-16/h1,4,13,16-17H,2-3,5-12,14H2.

What is the InChIKey of the compound?

The InChIKey is FELIFIBIVNNITD-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1CC1C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CN=C(C=C4)C(F)(F)F.

What is the molecular weight of the compound?

The molecular weight is 396.4 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.9.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized.

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