5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine

C18H27F3N4O — CID 58747984

IUPAC5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESCC(C)N1CCC(OC2CCN(c3cnc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C18H27F3N4O/c1-13(2)24-7-3-15(4-8-24)26-16-5-9-25(10-6-16)14-11-22-17(23-12-14)18(19,20)21/h11-13,15-16H,3-10H2,1-2H3
InChIKeyQELYONVDPGLLTR-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.35
Rot. Bonds4

About 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine

5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine (PubChem CID 58747984) has the molecular formula C18H27F3N4O and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine
PubChem CID58747984
Molecular FormulaC18H27F3N4O
Molecular Weight372.44 g/mol
Exact Mass372.21
IUPAC Name5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESCC(C)N1CCC(OC2CCN(c3cnc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C18H27F3N4O/c1-13(2)24-7-3-15(4-8-24)26-16-5-9-25(10-6-16)14-11-22-17(23-12-14)18(19,20)21/h11-13,15-16H,3-10H2,1-2H3
InChIKeyQELYONVDPGLLTR-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 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine (CID 58747984) is 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine is CC(C)N1CCC(OC2CCN(c3cnc(C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is QELYONVDPGLLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O/c1-13(2)24-7-3-15(4-8-24)26-16-5-9-25(10-6-16)14-11-22-17(23-12-14)18(19,20)21/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine?
5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(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 5-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58747984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).