2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine

C12H16F3N3O — CID 64585870

IUPAC2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OCCC2CCCCN2)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-4-7-17-11(18-10)19-8-5-9-3-1-2-6-16-9/h4,7,9,16H,1-3,5-6,8H2
InChIKeySROVVICECDUGIA-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.41
Rot. Bonds4

About 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine

2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine (PubChem CID 64585870) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine
PubChem CID64585870
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(OCCC2CCCCN2)n1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-4-7-17-11(18-10)19-8-5-9-3-1-2-6-16-9/h4,7,9,16H,1-3,5-6,8H2
InChIKeySROVVICECDUGIA-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine
CID 97163202
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
CID 103204979
2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine
CID 97163934
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
2-(4,4-dimethylpentoxy)-4-(trifluoromethyl)pyrimidine
CID 59026288
3-(2-piperidin-2-ylethoxy)pyridazine
CID 62483689
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402
5-bromo-2-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796828
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 106621340

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine (CID 64585870) is 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(OCCC2CCCCN2)n1.
What is the InChIKey of 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine?
The InChIKey is SROVVICECDUGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-4-7-17-11(18-10)19-8-5-9-3-1-2-6-16-9/h4,7,9,16H,1-3,5-6,8H2.
What are the key properties of 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine?
2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine has a molecular weight of 275.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 64585870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).