(2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C14H23F3N2O2 — CID 131949449

IUPAC(2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCC1(C)CC(C(=O)N2CCN(CC(F)(F)F)CC2)CCO1
InChIInChI=1S/C14H23F3N2O2/c1-13(2)9-11(3-8-21-13)12(20)19-6-4-18(5-7-19)10-14(15,16)17/h11H,3-10H2,1-2H3
InChIKeyCLQANSZYEBUNFC-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.90
Rot. Bonds2

About (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 131949449) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID131949449
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name(2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESCC1(C)CC(C(=O)N2CCN(CC(F)(F)F)CC2)CCO1
InChIInChI=1S/C14H23F3N2O2/c1-13(2)9-11(3-8-21-13)12(20)19-6-4-18(5-7-19)10-14(15,16)17/h11H,3-10H2,1-2H3
InChIKeyCLQANSZYEBUNFC-UHFFFAOYSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 131949449) is (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is CC1(C)CC(C(=O)N2CCN(CC(F)(F)F)CC2)CCO1.
What is the InChIKey of (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is CLQANSZYEBUNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-13(2)9-11(3-8-21-13)12(20)19-6-4-18(5-7-19)10-14(15,16)17/h11H,3-10H2,1-2H3.
What are the key properties of (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 308.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyloxan-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 131949449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).