5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine

C12H16F3N3 — CID 174866937

IUPAC5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine
SMILESFC(F)(F)CCN1CCC(c2cncnc2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)3-6-18-4-1-10(2-5-18)11-7-16-9-17-8-11/h7-10H,1-6H2
InChIKeyOFJYTPRYTDWIEI-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.61
Rot. Bonds3

About 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine

5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine (PubChem CID 174866937) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine.

Molecular Properties

Compound Name5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine
PubChem CID174866937
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine
SMILESFC(F)(F)CCN1CCC(c2cncnc2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)3-6-18-4-1-10(2-5-18)11-7-16-9-17-8-11/h7-10H,1-6H2
InChIKeyOFJYTPRYTDWIEI-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine?
The IUPAC name of 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine (CID 174866937) is 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine.
What is the SMILES notation for 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine?
The canonical SMILES for 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine is FC(F)(F)CCN1CCC(c2cncnc2)CC1.
What is the InChIKey of 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine?
The InChIKey is OFJYTPRYTDWIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)3-6-18-4-1-10(2-5-18)11-7-16-9-17-8-11/h7-10H,1-6H2.
What are the key properties of 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine?
5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine has a molecular weight of 259.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]pyrimidine is sourced from PubChem (CID 174866937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).