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

C16H16F3N3O — CID 174787817

IUPAC2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)Oc1ccccc1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)23-14-5-2-1-4-13(14)12-6-10-22(11-7-12)15-20-8-3-9-21-15/h1-5,8-9,12H,6-7,10-11H2
InChIKeyRQYNUVNQZKHSRX-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.76
Rot. Bonds3

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

2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine (PubChem CID 174787817) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine
PubChem CID174787817
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)Oc1ccccc1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)23-14-5-2-1-4-13(14)12-6-10-22(11-7-12)15-20-8-3-9-21-15/h1-5,8-9,12H,6-7,10-11H2
InChIKeyRQYNUVNQZKHSRX-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine (CID 174787817) is 2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine is FC(F)(F)Oc1ccccc1C1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine?
The InChIKey is RQYNUVNQZKHSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)23-14-5-2-1-4-13(14)12-6-10-22(11-7-12)15-20-8-3-9-21-15/h1-5,8-9,12H,6-7,10-11H2.
What are the key properties of 2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine?
2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine has a molecular weight of 323.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 174787817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).