(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone

C16H19F5N4O — CID 163354691

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2nccc(C(F)(F)F)n2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H19F5N4O/c17-15(18)4-8-24(9-5-15)13(26)11-2-1-7-25(10-11)14-22-6-3-12(23-14)16(19,20)21/h3,6,11H,1-2,4-5,7-10H2
InChIKeyFLTKBQHTDOZGBB-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.97
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone (PubChem CID 163354691) has the molecular formula C16H19F5N4O and a molecular weight of 378.35 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
PubChem CID163354691
Molecular FormulaC16H19F5N4O
Molecular Weight378.35 g/mol
Exact Mass378.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2nccc(C(F)(F)F)n2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H19F5N4O/c17-15(18)4-8-24(9-5-15)13(26)11-2-1-7-25(10-11)14-22-6-3-12(23-14)16(19,20)21/h3,6,11H,1-2,4-5,7-10H2
InChIKeyFLTKBQHTDOZGBB-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone (CID 163354691) is (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone is O=C(C1CCCN(c2nccc(C(F)(F)F)n2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
The InChIKey is FLTKBQHTDOZGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F5N4O/c17-15(18)4-8-24(9-5-15)13(26)11-2-1-7-25(10-11)14-22-6-3-12(23-14)16(19,20)21/h3,6,11H,1-2,4-5,7-10H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone has a molecular weight of 378.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 163354691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).