2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine

C19H21F3N4O — CID 171702215

IUPAC2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1cc(OCC2CCCN(c3ccnc(C4CC4)n3)C2)ccn1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)16-10-15(5-7-23-16)27-12-13-2-1-9-26(11-13)17-6-8-24-18(25-17)14-3-4-14/h5-8,10,13-14H,1-4,9,11-12H2
InChIKeyIDQGRMVQDQLFAV-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.06
Rot. Bonds5

About 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine

2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine (PubChem CID 171702215) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
PubChem CID171702215
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1cc(OCC2CCCN(c3ccnc(C4CC4)n3)C2)ccn1
InChIInChI=1S/C19H21F3N4O/c20-19(21,22)16-10-15(5-7-23-16)27-12-13-2-1-9-26(11-13)17-6-8-24-18(25-17)14-3-4-14/h5-8,10,13-14H,1-4,9,11-12H2
InChIKeyIDQGRMVQDQLFAV-UHFFFAOYSA-N
XLogP4.06
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine (CID 171702215) is 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine is FC(F)(F)c1cc(OCC2CCCN(c3ccnc(C4CC4)n3)C2)ccn1.
What is the InChIKey of 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
The InChIKey is IDQGRMVQDQLFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c20-19(21,22)16-10-15(5-7-23-16)27-12-13-2-1-9-26(11-13)17-6-8-24-18(25-17)14-3-4-14/h5-8,10,13-14H,1-4,9,11-12H2.
What are the key properties of 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine?
2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine has a molecular weight of 378.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 171702215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).