[4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H21F3N2O — CID 1245665

IUPAC[4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)18-8-4-7-17(15-18)19(26)25-13-11-24(12-14-25)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyCXVFTKXPKYQTAG-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.71
Rot. Bonds4

About [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 1245665) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID1245665
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name[4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)18-8-4-7-17(15-18)19(26)25-13-11-24(12-14-25)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2
InChIKeyCXVFTKXPKYQTAG-UHFFFAOYSA-N
XLogP3.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 1245665) is [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is CXVFTKXPKYQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)18-8-4-7-17(15-18)19(26)25-13-11-24(12-14-25)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14H2.
What are the key properties of [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 362.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 1245665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).