2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine

C13H18F3N3 — CID 18187469

IUPAC2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(CCCC2CCNCC2)n1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-6-9-18-12(19-11)3-1-2-10-4-7-17-8-5-10/h6,9-10,17H,1-5,7-8H2
InChIKeyQINYAIWPCSPNDH-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.82
Rot. Bonds4

About 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine

2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine (PubChem CID 18187469) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine
PubChem CID18187469
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(CCCC2CCNCC2)n1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)11-6-9-18-12(19-11)3-1-2-10-4-7-17-8-5-10/h6,9-10,17H,1-5,7-8H2
InChIKeyQINYAIWPCSPNDH-UHFFFAOYSA-N
XLogP2.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine (CID 18187469) is 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(CCCC2CCNCC2)n1.
What is the InChIKey of 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is QINYAIWPCSPNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)11-6-9-18-12(19-11)3-1-2-10-4-7-17-8-5-10/h6,9-10,17H,1-5,7-8H2.
What are the key properties of 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine?
2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine has a molecular weight of 273.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-4-ylpropyl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 18187469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).