[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

C13H21F3N2O2 — CID 144817834

IUPAC[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC(O)(C(F)(F)F)C2)CC1(C)C
InChIInChI=1S/C13H21F3N2O2/c1-11(2)8-18(5-4-17(11)3)10(19)9-6-12(20,7-9)13(14,15)16/h9,20H,4-8H2,1-3H3
InChIKeyDMDLJRKDEOZALD-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.24
Rot. Bonds1

About [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone

[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (PubChem CID 144817834) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
PubChem CID144817834
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Name[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CC(O)(C(F)(F)F)C2)CC1(C)C
InChIInChI=1S/C13H21F3N2O2/c1-11(2)8-18(5-4-17(11)3)10(19)9-6-12(20,7-9)13(14,15)16/h9,20H,4-8H2,1-3H3
InChIKeyDMDLJRKDEOZALD-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone (CID 144817834) is [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CC(O)(C(F)(F)F)C2)CC1(C)C.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
The InChIKey is DMDLJRKDEOZALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c1-11(2)8-18(5-4-17(11)3)10(19)9-6-12(20,7-9)13(14,15)16/h9,20H,4-8H2,1-3H3.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone?
[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone has a molecular weight of 294.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)cyclobutyl]-(3,3,4-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 144817834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).