3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one

C19H25F3N2O2 — CID 55607296

IUPAC3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCO1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)16-5-3-15(4-6-16)14-23-9-11-24(12-10-23)18(25)8-7-17-2-1-13-26-17/h3-6,17H,1-2,7-14H2
InChIKeyWFYMQJYWDZPDGU-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.31
Rot. Bonds5

About 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one

3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 55607296) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
PubChem CID55607296
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCO1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H25F3N2O2/c20-19(21,22)16-5-3-15(4-6-16)14-23-9-11-24(12-10-23)18(25)8-7-17-2-1-13-26-17/h3-6,17H,1-2,7-14H2
InChIKeyWFYMQJYWDZPDGU-UHFFFAOYSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one (CID 55607296) is 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one is O=C(CCC1CCCO1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is WFYMQJYWDZPDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c20-19(21,22)16-5-3-15(4-6-16)14-23-9-11-24(12-10-23)18(25)8-7-17-2-1-13-26-17/h3-6,17H,1-2,7-14H2.
What are the key properties of 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one?
3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 370.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55607296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).