1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile

C12H16F3N3O — CID 78994527

IUPAC1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-17-4-6-18(7-5-17)10(19)11(8-16)2-1-3-11/h1-7,9H2
InChIKeyHHNPZJOOHWYOSP-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.39
Rot. Bonds2

About 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile

1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 78994527) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID78994527
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-17-4-6-18(7-5-17)10(19)11(8-16)2-1-3-11/h1-7,9H2
InChIKeyHHNPZJOOHWYOSP-UHFFFAOYSA-N
XLogP1.39
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile (CID 78994527) is 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCN(CC(F)(F)F)CC2)CCC1.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is HHNPZJOOHWYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)9-17-4-6-18(7-5-17)10(19)11(8-16)2-1-3-11/h1-7,9H2.
What are the key properties of 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 275.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 78994527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).