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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,4-Dimethylpiperazin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
CID 172437603
4-[4-(Trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2809218
8-Methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134072836
(3aS,7S,7aR)-2,2,5-trimethyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine
CID 171556876
1-Ethoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 3348045
1-Prop-2-ynoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 3835594
1-(2-Methylpropoxy)-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 3841755
1-Methoxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-ol
CID 3859024
Methyl 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propanoate
CID 18526460
8-[4-(Trifluoromethyl)pyrimidin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 33987698
3-[4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol
CID 52828410
2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 52864108

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).