2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine

C18H27F3N4O — CID 69355188

IUPAC2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCC(C)N1CCC(OC2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C18H27F3N4O/c1-13(2)24-9-4-14(5-10-24)26-15-6-11-25(12-7-15)17-22-8-3-16(23-17)18(19,20)21/h3,8,13-15H,4-7,9-12H2,1-2H3
InChIKeyWFXQYBYRKJNSDD-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.35
Rot. Bonds4

About 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 69355188) has the molecular formula C18H27F3N4O and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID69355188
Molecular FormulaC18H27F3N4O
Molecular Weight372.44 g/mol
Exact Mass372.21
IUPAC Name2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCC(C)N1CCC(OC2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C18H27F3N4O/c1-13(2)24-9-4-14(5-10-24)26-15-6-11-25(12-7-15)17-22-8-3-16(23-17)18(19,20)21/h3,8,13-15H,4-7,9-12H2,1-2H3
InChIKeyWFXQYBYRKJNSDD-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 69355188) is 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine is CC(C)N1CCC(OC2CCN(c3nccc(C(F)(F)F)n3)CC2)CC1.
What is the InChIKey of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is WFXQYBYRKJNSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O/c1-13(2)24-9-4-14(5-10-24)26-15-6-11-25(12-7-15)17-22-8-3-16(23-17)18(19,20)21/h3,8,13-15H,4-7,9-12H2,1-2H3.
What are the key properties of 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 372.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 69355188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).