2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine

C16H16F3N3O — CID 3537747

IUPAC2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)23-14-6-4-12(5-7-14)13-10-20-15(21-11-13)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2
InChIKeyKBPKJMCIZYKDLH-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.03
Rot. Bonds3

About 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine

2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine (PubChem CID 3537747) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
PubChem CID3537747
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
SMILESFC(F)(F)Oc1ccc(-c2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)23-14-6-4-12(5-7-14)13-10-20-15(21-11-13)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2
InChIKeyKBPKJMCIZYKDLH-UHFFFAOYSA-N
XLogP4.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine?
The IUPAC name of 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine (CID 3537747) is 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine?
The canonical SMILES for 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine is FC(F)(F)Oc1ccc(-c2cnc(N3CCCCC3)nc2)cc1.
What is the InChIKey of 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine?
The InChIKey is KBPKJMCIZYKDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)23-14-6-4-12(5-7-14)13-10-20-15(21-11-13)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine?
2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine has a molecular weight of 323.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine is sourced from PubChem (CID 3537747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).