2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine

C12H16F3N3 — CID 123411331

IUPAC2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)5-4-10-8-16-11(17-9-10)18-6-2-1-3-7-18/h8-9H,1-7H2
InChIKeyUZBMPONBFFKBGR-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.96
Rot. Bonds3

About 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine

2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 123411331) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID123411331
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)5-4-10-8-16-11(17-9-10)18-6-2-1-3-7-18/h8-9H,1-7H2
InChIKeyUZBMPONBFFKBGR-UHFFFAOYSA-N
XLogP2.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine (CID 123411331) is 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine is FC(F)(F)CCc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is UZBMPONBFFKBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)5-4-10-8-16-11(17-9-10)18-6-2-1-3-7-18/h8-9H,1-7H2.
What are the key properties of 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine?
2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 259.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 123411331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).