1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid

C12H19F3N2O3 — CID 53398839

IUPAC1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1C1CCCCC1
InChIInChI=1S/C10H18N2O.C2HF3O2/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9;3-2(4,5)1(6)7/h9,11H,1-8H2;(H,6,7)
InChIKeyHNJUYEPXNUKGJK-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.38
Rot. Bonds1

About 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid

1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 53398839) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid
PubChem CID53398839
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1CNCCN1C1CCCCC1
InChIInChI=1S/C10H18N2O.C2HF3O2/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9;3-2(4,5)1(6)7/h9,11H,1-8H2;(H,6,7)
InChIKeyHNJUYEPXNUKGJK-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid (CID 53398839) is 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1CNCCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is HNJUYEPXNUKGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2HF3O2/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9;3-2(4,5)1(6)7/h9,11H,1-8H2;(H,6,7).
What are the key properties of 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid?
1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 296.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpiperazin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53398839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).