1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid

C12H19F3N2O4 — CID 67084879

IUPAC1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1C1CCC(O)CC1
InChIInChI=1S/C10H18N2O2.C2HF3O2/c13-9-3-1-8(2-4-9)12-6-5-11-7-10(12)14;3-2(4,5)1(6)7/h8-9,11,13H,1-7H2;(H,6,7)
InChIKeyFXFAAOIDIFDVJI-UHFFFAOYSA-N
MW312.29 g/mol
LogP0.35
Rot. Bonds1

About 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid

1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 67084879) has the molecular formula C12H19F3N2O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID67084879
Molecular FormulaC12H19F3N2O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Name1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1C1CCC(O)CC1
InChIInChI=1S/C10H18N2O2.C2HF3O2/c13-9-3-1-8(2-4-9)12-6-5-11-7-10(12)14;3-2(4,5)1(6)7/h8-9,11,13H,1-7H2;(H,6,7)
InChIKeyFXFAAOIDIFDVJI-UHFFFAOYSA-N
XLogP0.35
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid (CID 67084879) is 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CNCCN1C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is FXFAAOIDIFDVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C2HF3O2/c13-9-3-1-8(2-4-9)12-6-5-11-7-10(12)14;3-2(4,5)1(6)7/h8-9,11,13H,1-7H2;(H,6,7).
What are the key properties of 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid?
1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 312.29 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)piperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67084879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).