2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine

C14H19F3N4O2 — CID 91660731

IUPAC2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCN(CCC3OCCO3)CC2)n1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)11-1-3-18-13(19-11)21-7-5-20(6-8-21)4-2-12-22-9-10-23-12/h1,3,12H,2,4-10H2
InChIKeyWZSCXYZVHNSXLE-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.38
Rot. Bonds4

About 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 91660731) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID91660731
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCN(CCC3OCCO3)CC2)n1
InChIInChI=1S/C14H19F3N4O2/c15-14(16,17)11-1-3-18-13(19-11)21-7-5-20(6-8-21)4-2-12-22-9-10-23-12/h1,3,12H,2,4-10H2
InChIKeyWZSCXYZVHNSXLE-UHFFFAOYSA-N
XLogP1.38
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 91660731) is 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCN(CCC3OCCO3)CC2)n1.
What is the InChIKey of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is WZSCXYZVHNSXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c15-14(16,17)11-1-3-18-13(19-11)21-7-5-20(6-8-21)4-2-12-22-9-10-23-12/h1,3,12H,2,4-10H2.
What are the key properties of 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 332.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91660731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).